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ZINC Item

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751776

Analogs

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Popular Name: 5-chloro-N-{5-nitro-2-methoxyphenyl}-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide 5-chloro-N-{5-nitro-2-methoxyphe…

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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)	3.45	1.36	-15.76	1	8	0	101	386.795	5	↓ MOL2 SDF SMILES Flexibase

751777

Analogs

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Popular Name: 5-chloro-N-(4-chloro-2,5-dimethoxy-phenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide 5-chloro-N-(4-chloro-2,5-dimetho…

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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)	4.15	0.76	-10.05	1	6	0	65	406.269	5	↓ MOL2 SDF SMILES Flexibase

43767099

Analogs

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide N-(2-isopropyl-6-methyl-phenyl)-…

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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)	4.24	12.19	-10.84	1	4	0	47	401.432	5	↓ MOL2 SDF SMILES Flexibase

51482195

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide 1-(2-fluorophenyl)-N-[3-(hydroxy…

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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)	2.12	5.16	-16.72	2	5	0	67	311.316	4	↓ MOL2 SDF SMILES Flexibase

51482223

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide 1-(2-chlorophenyl)-N-[3-(hydroxy…

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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	5.7	-15.13	2	5	0	67	327.771	4	↓ MOL2 SDF SMILES Flexibase

51482355

Analogs

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Popular Name: 1-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide 1-(2,4-dichlorophenyl)-N-[3-(hyd…

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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)	3.29	6.2	-13.87	2	5	0	67	362.216	4	↓ MOL2 SDF SMILES Flexibase

51482548

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide 1-(3-chlorophenyl)-N-[3-(hydroxy…

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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)	2.66	5.5	-14.52	2	5	0	67	327.771	4	↓ MOL2 SDF SMILES Flexibase

53490941

Analogs

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Popular Name: N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(2-hydroxyphenyl)-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)	2.66	5.89	-11.14	2	5	0	67	307.353	3	↓ MOL2 SDF SMILES Flexibase

20890285

Analogs

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Popular Name: 5-chloro-N,3-dimethyl-N,1-diphenyl-pyrazole-4-carboxamide 5-chloro-N,3-dimethyl-N,1-diphen…

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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)	3.75	10.21	-10.51	0	4	0	38	325.799	3	↓ MOL2 SDF SMILES Flexibase

20890699

Analogs

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Popular Name: N-(4-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide N-(4-bromophenyl)-1-(4-fluorophe…

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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)	3.90	9.21	-10.97	1	4	0	47	388.24	3	↓ MOL2 SDF SMILES Flexibase

12023088

Analogs

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Popular Name: N,3-dimethyl-N,1-diphenyl-pyrazole-4-carboxamide N,3-dimethyl-N,1-diphenyl-pyrazo…

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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)	2.95	9.21	-12.75	0	4	0	38	291.354	3	↓ MOL2 SDF SMILES Flexibase

12023161

Analogs

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Popular Name: 3-methyl-N,1-diphenyl-pyrazole-4-carboxamide 3-methyl-N,1-diphenyl-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)	2.70	8.27	-12.77	1	4	0	47	277.327	3	↓ MOL2 SDF SMILES Flexibase

20890825

Analogs

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Popular Name: N-(3-bromophenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide N-(3-bromophenyl)-1-(4-fluorophe…

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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)	3.87	9.17	-13.59	1	4	0	47	388.24	3	↓ MOL2 SDF SMILES Flexibase

12023162

Analogs

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Popular Name: 3-methyl-N-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide 3-methyl-N-(o-tolyl)-1-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)	3.10	1.7	-12.68	1	4	0	47	291.354	3	↓ MOL2 SDF SMILES Flexibase

12023174

Analogs

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Popular Name: 3-methyl-1-phenyl-N-(p-tolyl)pyrazole-4-carboxamide 3-methyl-1-phenyl-N-(p-tolyl)pyr…

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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)	3.15	1.49	-12.8	1	4	0	47	291.354	3	↓ MOL2 SDF SMILES Flexibase

12023205

Analogs

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Popular Name: N-(2-fluorophenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide N-(2-fluorophenyl)-3-methyl-1-ph…

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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)	2.82	1.93	-10.76	1	4	0	47	295.317	3	↓ MOL2 SDF SMILES Flexibase

12023209

Analogs

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Popular Name: N-(3-fluorophenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide N-(3-fluorophenyl)-3-methyl-1-ph…

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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)	2.84	1.9	-15.37	1	4	0	47	295.317	3	↓ MOL2 SDF SMILES Flexibase

12023216

Analogs

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Popular Name: N-(4-fluorophenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide N-(4-fluorophenyl)-3-methyl-1-ph…

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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)	2.87	1.9	-13.16	1	4	0	47	295.317	3	↓ MOL2 SDF SMILES Flexibase

12023253

Analogs

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Popular Name: N-(3-hydroxyphenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide N-(3-hydroxyphenyl)-3-methyl-1-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)	2.20	-0.8	-15.87	2	5	0	67	293.326	3	↓ MOL2 SDF SMILES Flexibase

12023258

Analogs

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Popular Name: N-(4-hydroxyphenyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide N-(4-hydroxyphenyl)-3-methyl-1-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)	2.22	-0.82	-14.49	2	5	0	67	293.326	3	↓ MOL2 SDF SMILES Flexibase

20891040

Analogs

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Popular Name: N-(3-methoxyphenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(3-methoxyphenyl)-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)	2.96	7.8	-16.3	1	5	0	56	321.38	4	↓ MOL2 SDF SMILES Flexibase

20891265

Analogs

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Popular Name: N-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide N-(2-methoxyphenyl)-1-phenyl-pyr…

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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)	2.49	7.07	-11.85	1	5	0	56	293.326	4	↓ MOL2 SDF SMILES Flexibase

20891302

Analogs

8135381

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Popular Name: N-(2,3-dimethylphenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(2,3-dimethylphenyl)-3,5-dimet…

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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)	3.72	10.04	-13.11	1	4	0	47	319.408	3	↓ MOL2 SDF SMILES Flexibase

20891624

Analogs

45452797

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Popular Name: N,1-bis(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide N,1-bis(4-fluorophenyl)-3,5-dime…

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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)	3.25	8.65	-11.63	1	4	0	47	327.334	3	↓ MOL2 SDF SMILES Flexibase

20893579

Analogs

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Popular Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide 5-chloro-1-(4-fluorophenyl)-3-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)	4.00	9.72	-18.8	1	7	0	93	388.786	4	↓ MOL2 SDF SMILES Flexibase

20893668

Analogs

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Popular Name: 1-(4-fluorophenyl)-3,5-dimethyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide 1-(4-fluorophenyl)-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)	3.42	9.83	-19.37	1	7	0	93	368.368	4	↓ MOL2 SDF SMILES Flexibase

20893853

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(3,4-dichlorophenyl)-3,5-dimet…

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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)	4.21	9.46	-14.51	1	4	0	47	360.244	3	↓ MOL2 SDF SMILES Flexibase

20893908

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide N-(3,4-dichlorophenyl)-1-(4-fluo…

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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)	4.37	9.57	-12.33	1	4	0	47	378.234	3	↓ MOL2 SDF SMILES Flexibase

20894245

Analogs

14796933

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Popular Name: N-(3-fluorophenyl)-1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxamide N-(3-fluorophenyl)-1-(4-fluoroph…

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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)	3.23	8.61	-14.84	1	4	0	47	327.334	3	↓ MOL2 SDF SMILES Flexibase

20894787

Analogs

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Popular Name: 1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide 1-phenyl-N-[3-(trifluoromethyl)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)	3.35	8.63	-15.24	1	4	0	47	331.297	4	↓ MOL2 SDF SMILES Flexibase

20899019

Analogs

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Popular Name: N-(4-iodophenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(4-iodophenyl)-3,5-dimethyl-1-…

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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)	4.01	9.58	-12.43	1	4	0	47	417.25	3	↓ MOL2 SDF SMILES Flexibase

20899053

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-(4-iodophenyl)-3,5-dimethyl-pyrazole-4-carboxamide 1-(4-fluorophenyl)-N-(4-iodophen…

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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)	4.17	9.68	-10.77	1	4	0	47	435.24	3	↓ MOL2 SDF SMILES Flexibase

20900903

Analogs

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Popular Name: 5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide 5-chloro-N-[3-(dimethylsulfamoyl…

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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)	2.79	6.37	-20.57	1	7	0	84	418.906	5	↓ MOL2 SDF SMILES Flexibase

12038025

Analogs

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Popular Name: 5-chloro-3-methyl-N-(4-methylsulfanylphenyl)-1-phenyl-pyrazole-4-carboxamide 5-chloro-3-methyl-N-(4-methylsul…

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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)	3.94	0.35	-10.26	1	4	0	47	357.866	4	↓ MOL2 SDF SMILES Flexibase

12038135

Analogs

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Popular Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methylsulfanylphenyl)-pyrazole-4-carboxamide 5-chloro-1-(4-fluorophenyl)-3-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)	4.10	1.09	-9.57	1	4	0	47	375.856	4	↓ MOL2 SDF SMILES Flexibase

13010588

Analogs

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Popular Name: N-(3-acetylphenyl)-5-methyl-1-(m-tolyl)pyrazole-4-carboxamide N-(3-acetylphenyl)-5-methyl-1-(m…

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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)	3.21	9.11	-18.56	1	5	0	64	333.391	4	↓ MOL2 SDF SMILES Flexibase

13011588

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-5-methyl-1-phenyl-pyrazole-4-carboxamide N-(5-chloro-2-fluoro-phenyl)-5-m…

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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)	3.47	8.74	-9.31	1	4	0	47	329.762	3	↓ MOL2 SDF SMILES Flexibase

13011589

Analogs

39547687

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Popular Name: N-(3-chloro-2-methyl-phenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide N-(3-chloro-2-methyl-phenyl)-5-m…

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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)	4.82	10.37	-10.56	1	4	0	47	393.796	4	↓ MOL2 SDF SMILES Flexibase

13011590

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide N-(3-chloro-4-methoxy-phenyl)-5-…

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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)	4.45	8.94	-14.47	1	5	0	56	409.795	5	↓ MOL2 SDF SMILES Flexibase

13011591

Analogs

39547687

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Popular Name: N-(5-chloro-2-methyl-phenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide N-(5-chloro-2-methyl-phenyl)-5-m…

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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)	4.84	10.45	-12.36	1	4	0	47	393.796	4	↓ MOL2 SDF SMILES Flexibase

13011593

Analogs

25096905

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide N-(3-chloro-4-fluoro-phenyl)-1-(…

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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)	4.15	9.21	-11.28	1	4	0	47	364.207	3	↓ MOL2 SDF SMILES Flexibase

13011594

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-1-(4-chlorophenyl)-5-methyl-pyrazole-4-carboxamide N-(3-chloro-4-methoxy-phenyl)-1-…

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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)	4.04	8.49	-12.44	1	5	0	56	376.243	4	↓ MOL2 SDF SMILES Flexibase

13013183

Analogs

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Popular Name: 1-(2-fluorophenyl)-5-methyl-N-[2-methyl-3-(propanoylamino)phenyl]pyrazole-4-carboxamide 1-(2-fluorophenyl)-5-methyl-N-[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)	3.44	9.08	-19.52	2	6	0	76	380.423	5	↓ MOL2 SDF SMILES Flexibase

13014212

Analogs

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Popular Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide N-[3-(2-amino-2-oxo-ethoxy)pheny…

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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)	1.24	5.08	-24.2	3	7	0	99	336.351	6	↓ MOL2 SDF SMILES Flexibase

13014225

Analogs

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Popular Name: N-(3-acetamido-2-methyl-phenyl)-1-(2-fluorophenyl)-5-methyl-pyrazole-4-carboxamide N-(3-acetamido-2-methyl-phenyl)-…

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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)	2.60	8.32	-19.83	2	6	0	76	366.396	4	↓ MOL2 SDF SMILES Flexibase

13014591

Analogs

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Popular Name: N-(3-acetamido-4-methoxy-phenyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide N-(3-acetamido-4-methoxy-phenyl)…

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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)	3.15	6.8	-16.96	2	7	0	85	436.365	6	↓ MOL2 SDF SMILES Flexibase

13014820

Analogs

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Popular Name: N-(3-acetamidophenyl)-3,5-dimethyl-1-phenyl-pyrazole-4-carboxamide N-(3-acetamidophenyl)-3,5-dimeth…

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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)	2.12	7.47	-16.02	2	6	0	76	348.406	4	↓ MOL2 SDF SMILES Flexibase

13258688

Analogs

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Popular Name: 4-methyl-3-[(1-phenylpyrazole-4-carbonyl)amino]benzoic 4-methyl-3-[(1-phenylpyrazole-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)	2.77	8.17	-66.95	1	6	-1	87	320.328	4	↓ MOL2 SDF SMILES Flexibase

13259559

Analogs

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Popular Name: 3-[(1-phenylpyrazole-4-carbonyl)amino]benzoic 3-[(1-phenylpyrazole-4-carbonyl)…

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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)	2.37	7.28	-66.47	1	6	-1	87	306.301	4	↓ MOL2 SDF SMILES Flexibase

13259775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1-phenylpyrazole-4-carbonyl)amino]benzoic 4-[(1-phenylpyrazole-4-carbonyl)…

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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)	2.39	7.31	-57.9	1	6	-1	87	306.301	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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