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ZINC Item

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36127532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.67	1.1	-13.32	3	6	0	84	252.318	5	↓ MOL2 SDF SMILES Flexibase

36127533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminopyrazol-1-yl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide 2-(4-aminopyrazol-1-yl)-N-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.12	-0.01	-13.37	3	6	0	84	224.264	5	↓ MOL2 SDF SMILES Flexibase

36129560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-hydroxyethyl)acetamide N-cyclopropyl-2-(3,5-dimethyl-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.20	3.97	-14.24	1	8	0	104	282.3	6	↓ MOL2 SDF SMILES Flexibase

36130207

Analogs

37862110
37862111
37862147
37862148

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-propanamide (2S)-N-cyclopropyl-N-(2-hydroxye…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.17	2.11	-13.04	1	5	0	58	223.276	5	↓ MOL2 SDF SMILES Flexibase

36130208

Analogs

37862110
37862111
37862147
37862148

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Popular Name: (2R)-N-cyclopropyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-propanamide (2R)-N-cyclopropyl-N-(2-hydroxye…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.17	2.2	-13.53	1	5	0	58	223.276	5	↓ MOL2 SDF SMILES Flexibase

36130225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-pyrazol-1-yl-acetamide N-cyclopropyl-N-(2-hydroxyethyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.53	2.14	-13.77	1	5	0	58	209.249	5	↓ MOL2 SDF SMILES Flexibase

36130465

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide N-cyclopropyl-N-(2-hydroxyethyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.61	3.1	-15.73	1	5	0	58	277.246	6	↓ MOL2 SDF SMILES Flexibase

36130492

Analogs

37994079

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2-(4-nitropyrazol-1-yl)acetamide N-cyclopropyl-N-(2-hydroxyethyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.64	2.89	-15.91	1	8	0	104	254.246	6	↓ MOL2 SDF SMILES Flexibase

12014695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(cyclopropylamino)-2-oxo-ethyl]-N,N,3,5-tetramethyl-pyrazole-4-carboxamide 1-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.80	-0.81	-16.45	1	6	0	67	264.329	4	↓ MOL2 SDF SMILES Flexibase

36868002

Analogs

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Popular Name: N-cyclopropyl-2-(4-formyl-3,5-dimethyl-pyrazol-1-yl)acetamide N-cyclopropyl-2-(4-formyl-3,5-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.02	3.36	-18.39	1	5	0	64	221.26	4	↓ MOL2 SDF SMILES Flexibase

36868152

Analogs

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Popular Name: N-cyclopropyl-2-[4-(hydroxymethyl)-3,5-dimethyl-pyrazol-1-yl]acetamide N-cyclopropyl-2-[4-(hydroxymethy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.43	0.81	-17.43	2	5	0	67	223.276	4	↓ MOL2 SDF SMILES Flexibase

36868347

Analogs

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Popular Name: 2-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]-N-cyclopropyl-acetamide 2-[4-(aminomethyl)-3,5-dimethyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.59	1.53	-49.62	4	5	1	75	223.3	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.59	1.13	-14.47	3	5	0	73	222.292	4	↓ MOL2 SDF SMILES Flexibase

36868477

Analogs

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Popular Name: N-cyclopropyl-2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]acetamide N-cyclopropyl-2-[3,5-dimethyl-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.21	3.4	-44.52	3	5	1	64	237.327	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.21	1.95	-13.7	2	5	0	59	236.319	5	↓ MOL2 SDF SMILES Flexibase

36868589

Analogs

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Popular Name: N-cyclopropyl-2-[4-(ethylaminomethyl)-3,5-dimethyl-pyrazol-1-yl]acetamide N-cyclopropyl-2-[4-(ethylaminome…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.16	4.31	-44.01	3	5	1	64	251.354	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.16	2.94	-13.31	2	5	0	59	250.346	6	↓ MOL2 SDF SMILES Flexibase

36868684

Analogs

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Popular Name: N-cyclopropyl-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide N-cyclopropyl-2-[3,5-dimethyl-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.67	5.06	-44.66	3	5	1	64	265.381	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.67	3.7	-13.18	2	5	0	59	264.373	7	↓ MOL2 SDF SMILES Flexibase

36868775

Analogs

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Popular Name: N-cyclopropyl-2-[4-[(isopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]acetamide N-cyclopropyl-2-[4-[(isopropylam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.46	4.78	-42.18	3	5	1	64	265.381	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.46	3.59	-13.31	2	5	0	59	264.373	6	↓ MOL2 SDF SMILES Flexibase

36869052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide N-cyclopropyl-2-(3,5-dimethylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.08	3.17	-13.03	1	5	0	58	237.303	5	↓ MOL2 SDF SMILES Flexibase

36869056

Analogs

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Popular Name: N-[(1R,2S)-2-aminocyclopropyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1R,2S)-2-aminocyclopropyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.56	1.18	-58.75	4	5	1	75	209.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.56	0.84	-12.89	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

36869057

Analogs

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Popular Name: N-[(1S,2S)-2-aminocyclopropyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1S,2S)-2-aminocyclopropyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.56	0.95	-55.67	4	5	1	75	209.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.56	0.63	-14.97	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

36869058

Analogs

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Popular Name: N-[(1R,2R)-2-aminocyclopropyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1R,2R)-2-aminocyclopropyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.56	0.95	-54.26	4	5	1	75	209.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.56	0.63	-15.69	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

36869059

Analogs

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Popular Name: N-[(1S,2R)-2-aminocyclopropyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide N-[(1S,2R)-2-aminocyclopropyl]-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.56	1.18	-60.39	4	5	1	75	209.273	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.56	0.88	-14.02	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

54714136

Analogs

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Popular Name: (2R)-3-chloro-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-2-methyl-propanamide (2R)-3-chloro-N-[1-[2-(cycloprop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.32	3.45	-21.08	2	6	0	76	284.747	6	↓ MOL2 SDF SMILES Flexibase

54714137

Analogs

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Popular Name: (2S)-3-chloro-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-2-methyl-propanamide (2S)-3-chloro-N-[1-[2-(cycloprop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.32	3.46	-21.01	2	6	0	76	284.747	6	↓ MOL2 SDF SMILES Flexibase

61293882

Analogs

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Popular Name: N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-3-(ethylamino)propanamide N-[1-[2-(cyclopropylamino)-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.95	2.31	-57.42	4	7	1	93	280.352	8	↓ MOL2 SDF SMILES Flexibase

61293883

Analogs

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Popular Name: N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-2-(ethylamino)-2-methyl-propanamide N-[1-[2-(cyclopropylamino)-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.06	2.75	-57.22	4	7	1	93	294.379	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.06	1.52	-21.84	3	7	0	88	293.371	7	↓ MOL2 SDF SMILES Flexibase

61316801

Analogs

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Popular Name: N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-2-methyl-2-(methylamino)propanamide N-[1-[2-(cyclopropylamino)-2-oxo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.44	1.93	-59.38	4	7	1	93	280.352	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.44	0.7	-20.08	3	7	0	88	279.344	6	↓ MOL2 SDF SMILES Flexibase

61490081

Analogs

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Popular Name: (2S)-2-bromo-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]butanamide (2S)-2-bromo-N-[1-[2-(cyclopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.57	3.53	-21.73	2	6	0	76	329.198	6	↓ MOL2 SDF SMILES Flexibase

61490082

Analogs

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Popular Name: (2R)-2-bromo-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]butanamide (2R)-2-bromo-N-[1-[2-(cyclopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.57	3.53	-22.1	2	6	0	76	329.198	6	↓ MOL2 SDF SMILES Flexibase

62796602

Analogs

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Popular Name: N-cyclopropyl-2-[4-(methylamino)pyrazol-1-yl]acetamide N-cyclopropyl-2-[4-(methylamino)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.36	1.42	-14.7	2	5	0	59	194.238	4	↓ MOL2 SDF SMILES Flexibase

69759763

Analogs

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Popular Name: (2S)-2-(3-amino-4-chloro-pyrazol-1-yl)-N-cyclopropyl-propanamide (2S)-2-(3-amino-4-chloro-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	2.46	-12.65	3	5	0	73	228.683	3	↓ MOL2 SDF SMILES Flexibase

69759764

Analogs

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Popular Name: (2R)-2-(3-amino-4-chloro-pyrazol-1-yl)-N-cyclopropyl-propanamide (2R)-2-(3-amino-4-chloro-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.43	2.45	-12.59	3	5	0	73	228.683	3	↓ MOL2 SDF SMILES Flexibase

69759771

Analogs

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Popular Name: 2-(3-amino-4-chloro-pyrazol-1-yl)-N-cyclopropyl-N-methyl-acetamide 2-(3-amino-4-chloro-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.32	3.64	-15.8	2	5	0	64	228.683	3	↓ MOL2 SDF SMILES Flexibase

69759794

Analogs

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Popular Name: 2-(3-amino-4-chloro-pyrazol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(3-amino-4-chloro-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.69	4.46	-14.44	2	5	0	64	242.71	4	↓ MOL2 SDF SMILES Flexibase

69759806

Analogs

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Popular Name: 2-(3-amino-4-chloro-pyrazol-1-yl)-N-cyclopropyl-acetamide 2-(3-amino-4-chloro-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.07	1.98	-15.09	3	5	0	73	214.656	3	↓ MOL2 SDF SMILES Flexibase

69760061

Analogs

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Popular Name: 2-(4-chloro-3-nitro-pyrazol-1-yl)-N-cyclopropyl-acetamide 2-(4-chloro-3-nitro-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.55	4.75	-21.63	1	7	0	93	244.638	4	↓ MOL2 SDF SMILES Flexibase

69760330

Analogs

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Popular Name: (2S)-2-(3-amino-4-methyl-pyrazol-1-yl)-N-cyclopropyl-propanamide (2S)-2-(3-amino-4-methyl-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	2.62	-13.65	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

69760331

Analogs

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Popular Name: (2R)-2-(3-amino-4-methyl-pyrazol-1-yl)-N-cyclopropyl-propanamide (2R)-2-(3-amino-4-methyl-pyrazol…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	2.62	-13.57	3	5	0	73	208.265	3	↓ MOL2 SDF SMILES Flexibase

69760338

Analogs

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Popular Name: 2-(3-amino-4-methyl-pyrazol-1-yl)-N-cyclopropyl-N-methyl-acetamide 2-(3-amino-4-methyl-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.09	3.79	-16.62	2	5	0	64	208.265	3	↓ MOL2 SDF SMILES Flexibase

69760355

Analogs

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Popular Name: 2-(3-amino-4-methyl-pyrazol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(3-amino-4-methyl-pyrazol-1-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.46	4.53	-16.17	2	5	0	64	222.292	4	↓ MOL2 SDF SMILES Flexibase

69760361

Analogs

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Popular Name: 1H-pyrazole-1-acetamide, 3-amino-N-cyclopropyl-4-methyl- 1H-pyrazole-1-acetamide, 3-amino…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.16	2.14	-16	3	5	0	73	194.238	3	↓ MOL2 SDF SMILES Flexibase

40346030

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-(2-cyanoethyl)-N-cyclopropyl-acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.58	4.59	-16.78	2	6	0	88	261.329	5	↓ MOL2 SDF SMILES Flexibase

40346032

Analogs

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-(2-cyanoethyl)-N-cyclopropyl-acetamide 2-(4-aminopyrazol-1-yl)-N-(2-cya…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.03	3.48	-17.24	2	6	0	88	233.275	5	↓ MOL2 SDF SMILES Flexibase

40445611

Analogs

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Popular Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-cyclopropyl-acetamide 2-(4-bromo-3-nitro-pyrazol-1-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	4.83	-21.41	1	7	0	93	289.089	4	↓ MOL2 SDF SMILES Flexibase

70087391

Analogs

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Popular Name: 4-amino-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]-4-methyl-pentanamide 4-amino-N-[1-[2-(cyclopropylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.27	1.35	-57.54	5	7	1	104	294.379	7	↓ MOL2 SDF SMILES Flexibase

41072780

Analogs

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Popular Name: 2-[2-[[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]amino]-2-oxo-ethoxy]acetic 2-[2-[[1-[2-(cyclopropylamino)-2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.80	2.87	-73.88	2	9	-1	125	295.275	8	↓ MOL2 SDF SMILES Flexibase

70202337

Analogs

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Popular Name: 5-amino-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]pentanamide 5-amino-N-[1-[2-(cyclopropylamin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.18	1.17	-62.22	5	7	1	104	280.352	8	↓ MOL2 SDF SMILES Flexibase

70316254

Analogs

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Popular Name: (4S)-4-amino-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]pentanamide (4S)-4-amino-N-[1-[2-(cyclopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.29	1.1	-65.36	5	7	1	104	280.352	7	↓ MOL2 SDF SMILES Flexibase

70316255

Analogs

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Popular Name: (4R)-4-amino-N-[1-[2-(cyclopropylamino)-2-oxo-ethyl]pyrazol-4-yl]pentanamide (4R)-4-amino-N-[1-[2-(cyclopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.29	1.1	-64.79	5	7	1	104	280.352	7	↓ MOL2 SDF SMILES Flexibase

49302782

Analogs

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Popular Name: 2-(3-aminopyrazol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(3-aminopyrazol-1-yl)-N-cyclop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.09	3.94	-15.63	2	5	0	64	208.265	4	↓ MOL2 SDF SMILES Flexibase

49302791

Analogs

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Popular Name: 2-(3-amino-4-bromo-pyrazol-1-yl)-N-cyclopropyl-N-ethyl-acetamide 2-(3-amino-4-bromo-pyrazol-1-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.82	4.56	-14.4	2	5	0	64	287.161	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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