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ZINC Item

Suppliers, Protomers, & Similar Substances

5561892

Analogs

5030876
5033987

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(4-methoxyphenyl)-2H-pyrazole-3-carboxamide N-[1-(3,4-dimethoxyphenyl)ethyli…

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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)	3.01	-0.77	-14.89	2	8	0	97	394.431	7	↓ MOL2 SDF SMILES Flexibase

8980571

Analogs

435735
5126182

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-ethylphenyl)-N-[(4-nitrophenyl)methyleneamino]-1H-pyrazole-3-carboxamide 5-(4-ethylphenyl)-N-[(4-nitrophe…

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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)	4.26	9.15	-17.73	2	8	0	116	363.377	6	↓ MOL2 SDF SMILES Flexibase

36148105

Analogs

38197315
5029512

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-hydroxy-3-methyl-5-nitro-phenyl)methyleneamino]-3-phenyl-1H-pyrazole-5-carboxamide N-[(2-hydroxy-3-methyl-5-nitro-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)	3.44	5.96	-15.1	3	9	0	136	365.349	5	↓ MOL2 SDF SMILES Flexibase

12401540

Analogs

9110344

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-isobutylphenyl)-N-[1-(4-methoxyphenyl)ethylideneamino]-2H-pyrazole-3-carboxamide 5-(4-isobutylphenyl)-N-[1-(4-met…

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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)	4.66	-0.11	-12.72	2	6	0	79	390.487	7	↓ MOL2 SDF SMILES Flexibase

13282369

Analogs

5317868
5317877

Draw Identity 99% 90% 80% 70%

Popular Name: [2-methoxy-4-[(E)-[(5-phenyl2H-pyrazole-3-carbonyl)hydrazono]methyl]phenyl] [2-methoxy-4-[(E)-[(5-phenyl2H-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)	2.53	7.95	-20.24	2	8	0	106	378.388	7	↓ MOL2 SDF SMILES Flexibase

945608

Analogs

5297722
31841325

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Popular Name: N-[(E)-(4-isopropylbenzylidene)amino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-(4-isopropylbenzylidene)a…

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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)	4.96	8.2	-14.16	2	6	0	79	362.433	6	↓ MOL2 SDF SMILES Flexibase

945610

Analogs

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Popular Name: N-[(E)-[4-(diethylamino)benzylidene]amino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-[4-(diethylamino)benzylid…

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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)	4.30	-1.4	-15.14	2	7	0	82	391.475	8	↓ MOL2 SDF SMILES Flexibase

945621

Analogs

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Popular Name: 3-(4-chlorophenyl)-N-[(E)-(4-ethoxybenzylidene)amino]-1H-pyrazole-5-carboxamide 3-(4-chlorophenyl)-N-[(E)-(4-eth…

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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)	4.50	-2.04	-14.06	2	6	0	79	368.824	6	↓ MOL2 SDF SMILES Flexibase

945629

Analogs

5297736

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(E)-(4-fluorobenzylidene)amino]-3-p-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(4-fluorobenzylidene)amin…

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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)	3.99	-1.16	-15.31	2	6	0	79	352.369	6	↓ MOL2 SDF SMILES Flexibase

945632

Analogs

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Popular Name: N-[(E)-(4-bromobenzylidene)amino]-3-p-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(4-bromobenzylidene)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)	4.63	-2.65	-14.71	2	6	0	79	413.275	6	↓ MOL2 SDF SMILES Flexibase

945640

Analogs

5296184

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Popular Name: N-[(E)-m-anisylideneamino]-3-p-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-m-anisylideneamino]-3-p-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)	3.86	-1.88	-14.52	2	7	0	89	364.405	7	↓ MOL2 SDF SMILES Flexibase

945646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(E)-[(3-p-phenetyl-1H-pyrazole-5-carbonyl)hydrazono]methyl]benzoic-acid-methyl-ester 4-[(E)-[(3-p-phenetyl-1H-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)	4.00	-0.78	-17.44	2	8	0	106	392.415	8	↓ MOL2 SDF SMILES Flexibase

945656

Analogs

5297203

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methoxyphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]-2H-pyrazole-3-carboxamide 5-(4-methoxyphenyl)-N-[1-(3-nitr…

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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)	3.30	-0.8	-24.38	2	9	0	125	379.376	6	↓ MOL2 SDF SMILES Flexibase

945676

Analogs

5296755

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(4-ethoxyphenyl)-2H-pyrazole-3-carboxamide N-[1-(3,4-dimethoxyphenyl)ethyli…

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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)	3.38	-0.95	-18.8	2	8	0	97	408.458	8	↓ MOL2 SDF SMILES Flexibase

945724

Analogs

1196903

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Popular Name: 2-[2-[[5-(p-tolyl)-2H-pyrazol-3-yl]carbonylaminoiminomethyl]phenoxy]acetic 2-[2-[[5-(p-tolyl)-2H-pyrazol-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)	3.10	8.52	-70.13	2	8	-1	120	377.38	7	↓ MOL2 SDF SMILES Flexibase

945729

Analogs

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Popular Name: N-[(4-diethylamino-2-hydroxy-phenyl)methyleneamino]-5-(p-tolyl)-2H-pyrazole-3-carboxamide N-[(4-diethylamino-2-hydroxy-phe…

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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)	4.61	-2.78	-15.47	3	7	0	93	391.475	7	↓ MOL2 SDF SMILES Flexibase

945802

Analogs

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Popular Name: N-[(E)-(4-ethoxybenzylidene)amino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-(4-ethoxybenzylidene)amin…

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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)	3.83	-1.65	-16.57	2	7	0	89	364.405	7	↓ MOL2 SDF SMILES Flexibase

945806

Analogs

5297128

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(E)-(2-hydroxy-3-methoxy-benzylidene)amino]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2-hydroxy-3-methoxy-benz…

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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	-3.04	-19.94	3	8	0	108	366.377	6	↓ MOL2 SDF SMILES Flexibase

945838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(E)-[4-(diethylamino)benzylidene]amino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide N-[(E)-[4-(diethylamino)benzylid…

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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)	4.62	-1.25	-13.81	2	6	0	73	375.476	7	↓ MOL2 SDF SMILES Flexibase

945840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-3-phenyl-N-[(E)-(2,4,5-trimethoxybenzylidene)amino]-1H-pyrazole-5-carboxamide 4-methyl-3-phenyl-N-[(E)-(2,4,5-…

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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)	3.40	-1.11	-17.45	2	8	0	97	394.431	7	↓ MOL2 SDF SMILES Flexibase

945846

Analogs

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Popular Name: N-[(E)-(2,5-dimethoxybenzylidene)amino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide N-[(E)-(2,5-dimethoxybenzylidene…

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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)	3.81	-1.45	-14.96	2	7	0	89	364.405	6	↓ MOL2 SDF SMILES Flexibase

945884

Analogs

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Popular Name: N-[1-(4-bromophenyl)ethylideneamino]-4-methyl-5-phenyl-2H-pyrazole-3-carboxamide N-[1-(4-bromophenyl)ethylideneam…

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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)	4.49	-1.92	-13.44	2	5	0	70	397.276	4	↓ MOL2 SDF SMILES Flexibase

945888

Analogs

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Popular Name: N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-5-phenyl-2H-pyrazole-3-carboxamide N-[1-(3,4-dimethoxyphenyl)ethyli…

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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)	3.33	-0.8	-17.53	2	7	0	88	378.432	6	↓ MOL2 SDF SMILES Flexibase

945890

Analogs

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Popular Name: N-[1-(4-chlorophenyl)ethylideneamino]-4-methyl-5-phenyl-2H-pyrazole-3-carboxamide N-[1-(4-chlorophenyl)ethylidenea…

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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)	4.36	-1.31	-13.47	2	5	0	70	352.825	4	↓ MOL2 SDF SMILES Flexibase

946078

Analogs

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Popular Name: 3-(3-nitrophenyl)-N-[(E)-salicylideneamino]-1H-pyrazole-5-carboxamide 3-(3-nitrophenyl)-N-[(E)-salicyl…

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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)	3.27	-3.1	-19.27	3	9	0	136	351.322	5	↓ MOL2 SDF SMILES Flexibase

946086

Analogs

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Popular Name: N-[(E)-(2,4-dichlorobenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2,4-dichlorobenzylidene)…

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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)	4.61	-1.55	-19.46	2	8	0	115	404.213	5	↓ MOL2 SDF SMILES Flexibase

946088

Analogs

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Popular Name: N-[(E)-(4-fluorobenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(4-fluorobenzylidene)amin…

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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)	3.49	-0.67	-18.95	2	8	0	116	353.313	5	↓ MOL2 SDF SMILES Flexibase

946096

Analogs

8566249

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Popular Name: 3-(3-nitrophenyl)-N-[(E)-veratrylideneamino]-1H-pyrazole-5-carboxamide 3-(3-nitrophenyl)-N-[(E)-veratry…

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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)	2.97	-1.06	-21	2	10	0	134	395.375	7	↓ MOL2 SDF SMILES Flexibase

946108

Analogs

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Popular Name: 3-(3-nitrophenyl)-N-[(E)-o-anisylideneamino]-1H-pyrazole-5-carboxamide 3-(3-nitrophenyl)-N-[(E)-o-anisy…

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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)	3.34	-1.12	-19.84	2	9	0	125	365.349	6	↓ MOL2 SDF SMILES Flexibase

946110

Analogs

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Popular Name: N-[(E)-(4-chlorobenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(4-chlorobenzylidene)amin…

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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	-1.56	-18.4	2	8	0	115	369.768	5	↓ MOL2 SDF SMILES Flexibase

946112

Analogs

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Popular Name: N-[(E)-m-anisylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-m-anisylideneamino]-3-(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)	3.36	-1.39	-18.2	2	9	0	125	365.349	6	↓ MOL2 SDF SMILES Flexibase

946114

Analogs

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Popular Name: 3-(3-nitrophenyl)-N-[(E)-(2,4,5-trimethoxybenzylidene)amino]-1H-pyrazole-5-carboxamide 3-(3-nitrophenyl)-N-[(E)-(2,4,5-…

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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)	2.96	6.56	-22.25	2	11	0	144	425.401	8	↓ MOL2 SDF SMILES Flexibase

946122

Analogs

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Popular Name: N-[(E)-(2,6-dichlorobenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2,6-dichlorobenzylidene)…

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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)	4.59	-1.57	-17.06	2	8	0	116	404.213	5	↓ MOL2 SDF SMILES Flexibase

946126

Analogs

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Popular Name: N-[(E)-(3-ethoxy-2-hydroxy-benzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(3-ethoxy-2-hydroxy-benzy…

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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	-2.75	-21.93	3	10	0	145	395.375	7	↓ MOL2 SDF SMILES Flexibase

946130

Analogs

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Popular Name: N-[(E)-(2-hydroxy-3-methoxy-benzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2-hydroxy-3-methoxy-benz…

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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	-2.76	-22.04	3	10	0	145	381.348	6	↓ MOL2 SDF SMILES Flexibase

946134

Analogs

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Popular Name: N-[(E)-(2-chloro-6-fluoro-benzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2-chloro-6-fluoro-benzyl…

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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)	4.07	-0.86	-19	2	8	0	116	387.758	5	↓ MOL2 SDF SMILES Flexibase

946136

Analogs

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Popular Name: N-[(E)-(2-ethoxybenzylidene)amino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide N-[(E)-(2-ethoxybenzylidene)amin…

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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)	3.71	-1.1	-19.53	2	9	0	125	379.376	7	↓ MOL2 SDF SMILES Flexibase

946174

Analogs

5295958

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Popular Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-[4-(dimethylamino)benzyli…

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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)	3.53	-1.89	-16.3	2	7	0	83	363.421	6	↓ MOL2 SDF SMILES Flexibase

946180

Analogs

5296035

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Popular Name: 3-(3-methoxyphenyl)-N-[(E)-(4-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide 3-(3-methoxyphenyl)-N-[(E)-(4-ni…

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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)	3.38	-1.39	-20.16	2	9	0	125	365.349	6	↓ MOL2 SDF SMILES Flexibase

946190

Analogs

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Popular Name: N-[(E)-(4-isopropylbenzylidene)amino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[(E)-(4-isopropylbenzylidene)a…

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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)	4.94	-1.12	-15.21	2	6	0	79	362.433	6	↓ MOL2 SDF SMILES Flexibase

946194

Analogs

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Popular Name: 3-m-phenetyl-N-[(E)-salicylideneamino]-1H-pyrazole-5-carboxamide 3-m-phenetyl-N-[(E)-salicylidene…

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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)	3.74	-3.59	-16.54	3	7	0	100	350.378	6	↓ MOL2 SDF SMILES Flexibase

946200

Analogs

9109733

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Popular Name: 3-m-phenetyl-N-[(E)-p-anisylideneamino]-1H-pyrazole-5-carboxamide 3-m-phenetyl-N-[(E)-p-anisyliden…

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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)	3.86	-1.87	-16.3	2	7	0	89	364.405	7	↓ MOL2 SDF SMILES Flexibase

946206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-m-phenetyl-N-[(E)-(3-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide 3-m-phenetyl-N-[(E)-(3-nitrobenz…

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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)	3.74	-1.38	-17.09	2	9	0	125	379.376	7	↓ MOL2 SDF SMILES Flexibase

946208

Analogs

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Popular Name: N-[(E)-(4-bromobenzylidene)amino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(4-bromobenzylidene)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)	4.61	-2.66	-15.48	2	6	0	79	413.275	6	↓ MOL2 SDF SMILES Flexibase

946214

Analogs

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Popular Name: N-[(E)-(3-hydroxybenzylidene)amino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(3-hydroxybenzylidene)ami…

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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)	3.30	-3.87	-16.01	3	7	0	100	350.378	6	↓ MOL2 SDF SMILES Flexibase

946220

Analogs

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Popular Name: 3-m-phenetyl-N-[(E)-vanillylideneamino]-1H-pyrazole-5-carboxamide 3-m-phenetyl-N-[(E)-vanillyliden…

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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)	3.14	-3.49	-17.96	3	8	0	109	380.404	7	↓ MOL2 SDF SMILES Flexibase

946231

Analogs

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Popular Name: N-[(E)-(4-chlorobenzylidene)amino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(4-chlorobenzylidene)amin…

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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)	4.48	-2.04	-15.49	2	6	0	79	368.824	6	↓ MOL2 SDF SMILES Flexibase

946232

Analogs

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Popular Name: N-[(E)-m-anisylideneamino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-m-anisylideneamino]-3-m-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)	3.83	-1.88	-15.34	2	7	0	89	364.405	7	↓ MOL2 SDF SMILES Flexibase

946240

Analogs

8837864

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Popular Name: N-[(E)-(4-ethylbenzylidene)amino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(4-ethylbenzylidene)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)	4.72	-1.42	-15.19	2	6	0	79	362.433	7	↓ MOL2 SDF SMILES Flexibase

946246

Analogs

2387604

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Popular Name: N-[(E)-(2,5-dimethoxybenzylidene)amino]-3-m-phenetyl-1H-pyrazole-5-carboxamide N-[(E)-(2,5-dimethoxybenzylidene…

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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)	3.84	-1.6	-16.88	2	8	0	98	394.431	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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