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ZINC Item

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40235790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-ethyl-N-(m-tolyl)-1H-pyrazole-4-carboxamide 5-amino-N-ethyl-N-(m-tolyl)-1H-p…

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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)	1.79	4.42	-9.45	3	5	0	75	244.298	3	↓ MOL2 SDF SMILES Flexibase

40235815

Analogs

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Popular Name: N-ethyl-N-(m-tolyl)-1H-pyrazole-4-carboxamide N-ethyl-N-(m-tolyl)-1H-pyrazole-…

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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)	2.18	5.38	-10.18	1	4	0	49	229.283	3	↓ MOL2 SDF SMILES Flexibase

40235824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3,5-dimethyl-N-(m-tolyl)-1H-pyrazole-4-carboxamide N-ethyl-3,5-dimethyl-N-(m-tolyl)…

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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)	2.63	6.95	-10.29	1	4	0	49	257.337	3	↓ MOL2 SDF SMILES Flexibase

35634880

Analogs

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Popular Name: 1,5-dimethyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[4-[(1R)-1-(methy…

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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)	1.55	5.31	-44.46	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35634881

Analogs

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Popular Name: 1,5-dimethyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[4-[(1S)-1-(methy…

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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)	1.55	5.3	-43.73	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35634894

Analogs

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Popular Name: 1,3,5-trimethyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[4-[(1R)-1-(me…

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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)	1.77	5.78	-46.25	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35634895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[4-[(1S)-1-(me…

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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)	1.77	5.79	-45.2	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35634896

Analogs

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Popular Name: 1-methyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[4-[(1S)-1-(methylami…

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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)	1.32	4.78	-44.22	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35634897

Analogs

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Popular Name: 1-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[4-[(1R)-1-(methylami…

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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)	1.32	4.78	-45.03	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35635044

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.92	6.14	-42.65	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35635045

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.92	6.14	-43.27	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35635058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.70	5.62	-43.1	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

35635059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.70	5.62	-43.76	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

35635156

Analogs

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Popular Name: 1-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[4-[(1S)-1-(propylami…

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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)	2.20	6.4	-43.77	3	5	1	64	287.387	6	↓ MOL2 SDF SMILES Flexibase

35635157

Analogs

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Popular Name: 1-methyl-N-[4-[(1R)-1-(propylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[4-[(1R)-1-(propylami…

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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)	2.20	6.38	-44.48	3	5	1	64	287.387	6	↓ MOL2 SDF SMILES Flexibase

35635228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[3-[(1R)-1-(methy…

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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)	1.52	5.31	-47.75	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35635229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[3-[(1S)-1-(methy…

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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)	1.52	5.32	-42.77	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35635242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[3-[(1R)-1-(me…

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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)	1.74	5.79	-49.41	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35635243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-trimethyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[3-[(1S)-1-(me…

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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)	1.74	5.8	-44.61	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35635244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[3-[(1S)-1-(methylami…

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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)	1.30	4.78	-47.67	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35635245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[3-[(1R)-1-(methylami…

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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)	1.30	4.79	-48.57	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35635386

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.90	6.15	-45.7	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35635387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.90	6.15	-46.48	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35635400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.68	5.63	-46.42	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

35635401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.68	5.63	-47.26	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

35635496

Analogs

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Popular Name: 1-methyl-N-[3-[(1S)-1-(propylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[3-[(1S)-1-(propylami…

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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)	2.18	6.39	-47.19	3	5	1	64	287.387	6	↓ MOL2 SDF SMILES Flexibase

35635497

Analogs

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Popular Name: 1-methyl-N-[3-[(1R)-1-(propylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[3-[(1R)-1-(propylami…

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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)	2.18	6.39	-48.1	3	5	1	64	287.387	6	↓ MOL2 SDF SMILES Flexibase

35643108

Analogs

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Popular Name: 1,5-dimethyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[2-[(1R)-1-(methy…

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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)	1.50	5.56	-48.44	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35643110

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[2-[(1S)-1-(methy…

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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)	1.50	5.57	-49.93	3	5	1	64	273.36	4	↓ MOL2 SDF SMILES Flexibase

35643146

Analogs

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Popular Name: 1,3,5-trimethyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[2-[(1R)-1-(me…

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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)	1.72	6.02	-51.49	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35643149

Analogs

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Popular Name: 1,3,5-trimethyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1,3,5-trimethyl-N-[2-[(1S)-1-(me…

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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)	1.72	6.07	-51.98	3	5	1	64	287.387	4	↓ MOL2 SDF SMILES Flexibase

35643152

Analogs

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Popular Name: 1-methyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[2-[(1S)-1-(methylami…

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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)	1.27	5.09	-50.89	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35643155

Analogs

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Popular Name: 1-methyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide 1-methyl-N-[2-[(1R)-1-(methylami…

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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)	1.27	5.09	-49.16	3	5	1	64	259.333	4	↓ MOL2 SDF SMILES Flexibase

35643564

Analogs

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Popular Name: N-[2-[(1S)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[2-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.87	6.45	-48.38	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35643567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1R)-1-(ethylamino)ethyl]phenyl]-1,5-dimethyl-pyrazole-4-carboxamide N-[2-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.87	6.43	-46.65	3	5	1	64	287.387	5	↓ MOL2 SDF SMILES Flexibase

35643615

Analogs

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Popular Name: N-[2-[(1S)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[2-[(1S)-1-(ethylamino)ethyl]p…

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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)	1.65	5.93	-49.26	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

35643617

Analogs

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Popular Name: N-[2-[(1R)-1-(ethylamino)ethyl]phenyl]-1-methyl-pyrazole-4-carboxamide N-[2-[(1R)-1-(ethylamino)ethyl]p…

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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)	1.65	5.9	-47.64	3	5	1	64	273.36	5	↓ MOL2 SDF SMILES Flexibase

53347086

Analogs

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Popular Name: 1-tert-butyl-N-(3-chloro-2-ethoxy-phenyl)pyrazole-4-carboxamide 1-tert-butyl-N-(3-chloro-2-ethox…

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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)	3.41	7.29	-8.19	1	5	0	56	321.808	5	↓ MOL2 SDF SMILES Flexibase

36139042

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-1-methyl-pyrazole-4-carboxamide N-(2-cyano-3-fluoro-phenyl)-1-me…

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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	4.73	-10.74	1	5	0	71	244.229	2	↓ MOL2 SDF SMILES Flexibase

36139046

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-1,3,5-trimethyl-pyrazole-4-carboxamide N-(2-cyano-3-fluoro-phenyl)-1,3,…

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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)	1.47	5.73	-10.99	1	5	0	71	272.283	2	↓ MOL2 SDF SMILES Flexibase

12015635

Analogs

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Popular Name: N,1,3-trimethyl-N-phenyl-pyrazole-4-carboxamide N,1,3-trimethyl-N-phenyl-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)	1.67	5.8	-13.23	0	4	0	38	229.283	2	↓ MOL2 SDF SMILES Flexibase

12015636

Analogs

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Popular Name: N-ethyl-1,3-dimethyl-N-phenyl-pyrazole-4-carboxamide N-ethyl-1,3-dimethyl-N-phenyl-py…

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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)	2.05	6.63	-13.4	0	4	0	38	243.31	3	↓ MOL2 SDF SMILES Flexibase

12015638

Analogs

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Popular Name: N-ethyl-1,3-dimethyl-N-(o-tolyl)pyrazole-4-carboxamide N-ethyl-1,3-dimethyl-N-(o-tolyl)…

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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)	2.45	3.08	-10.37	0	4	0	38	257.337	3	↓ MOL2 SDF SMILES Flexibase

12015639

Analogs

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Popular Name: N-ethyl-1,3-dimethyl-N-(m-tolyl)pyrazole-4-carboxamide N-ethyl-1,3-dimethyl-N-(m-tolyl)…

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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)	2.47	2.02	-13.57	0	4	0	38	257.337	3	↓ MOL2 SDF SMILES Flexibase

12015640

Analogs

34654147
34654946

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Popular Name: N-butyl-1,3-dimethyl-N-phenyl-pyrazole-4-carboxamide N-butyl-1,3-dimethyl-N-phenyl-py…

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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)	3.11	2.09	-12.25	0	4	0	38	271.364	5	↓ MOL2 SDF SMILES Flexibase

12015641

Analogs

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Popular Name: N-(2-hydroxyethyl)-1,3-dimethyl-N-phenyl-pyrazole-4-carboxamide N-(2-hydroxyethyl)-1,3-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)	1.04	3.34	-15.12	1	5	0	58	259.309	4	↓ MOL2 SDF SMILES Flexibase

12015642

Analogs

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Popular Name: N-(4-hydroxyphenyl)-N,1,3-trimethyl-pyrazole-4-carboxamide N-(4-hydroxyphenyl)-N,1,3-trimet…

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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)	1.19	3	-15.39	1	5	0	58	245.282	2	↓ MOL2 SDF SMILES Flexibase

12015647

Analogs

39375295

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Popular Name: 1,3-dimethyl-N-phenyl-pyrazole-4-carboxamide 1,3-dimethyl-N-phenyl-pyrazole-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)	1.43	4.83	-15.09	1	4	0	47	215.256	2	↓ MOL2 SDF SMILES Flexibase

12015648

Analogs

12015688

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-(o-tolyl)pyrazole-4-carboxamide 1,3-dimethyl-N-(o-tolyl)pyrazole…

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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)	1.83	5.72	-13.23	1	4	0	47	229.283	2	↓ MOL2 SDF SMILES Flexibase

12015649

Analogs

12015689

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-dimethyl-N-(m-tolyl)pyrazole-4-carboxamide 1,3-dimethyl-N-(m-tolyl)pyrazole…

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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)	1.85	5.53	-13.19	1	4	0	47	229.283	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Permalink

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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