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• Synonyms (0)
• Vendors (2)
• Annotations (0)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (5)

ZINC37990062

• 37990062

Physical Representations

Activity (Go SEA)

• 41534076
  

  Analogs

  44806867

  

  44806869

  

  44826182

  

  44826183

  

  44826184

  

  Popular Name: N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethyl-butanamide N-[(3,5-dimethyl-1H-pyrazol-4-yl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 1757195

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.70	3.89	-8.08	2	4	0	58	223.32	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC41534076
• 37142837
  

  Analogs

  37990062

  

  Popular Name: cyclopropyl-[4-[(3-methyl-1H-pyrazol-4-yl)methylamino]-1-piperidyl]methanone cyclopropyl-[4-[(3-methyl-1H-pyr…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine BB Make on Demand

    • BBV-27221901

  • UORSY BB Make-on-demand

    • BBV-27221901

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.64	5.01	-54.04	3	5	1	66	263.365	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.64	3.86	-10.83	2	5	0	61	262.357	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37142837
• 36164163
  

  Analogs

  36165487

  

  37841374

  

  37841851

  

  37841963

  

  37842326

  

  Popular Name: 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N-methyl-piperidine-4-carboxamide 1-(3,5-dimethyl-1H-pyrazole-4-ca…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43582135

  • Enamine BB Make on Demand

    • BBV-25209941

  • UORSY BB Make-on-demand

    • BBV-25209941

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.46	2.41	-16.06	2	6	0	78	264.329	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36164163
• 36165487
  

  Analogs

  37841374

  

  37841963

  

  37842326

  

  37842334

  

  37842338

  

  Popular Name: 1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide 1-(3,5-dimethyl-1H-pyrazole-4-ca…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Otava (Virtual)

    • 4484039

  • PubChem

    • 43582569

  • Enamine BB Make on Demand

    • BBV-25210394

  • UORSY BB Make-on-demand

    • BBV-25210394

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	-0.84	0.9	-16	3	6	0	92	250.302	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36165487
• 37142836
  

  Analogs

  37841486

  

  37990062

  

  37990178

  

  37990179

  

  11711328

  

  Popular Name: cyclopropyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-piperidyl]methanone cyclopropyl-[4-[(3,5-dimethyl-1H…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43747908

  • Enamine BB Make on Demand

    • BBV-27221900

  • UORSY BB Make-on-demand

    • BBV-27221900

  Draw Identity 99% 90% 80% 70%

  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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	0.86	5.49	-53.92	3	5	1	66	277.392	4	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.86	4.29	-12.74	2	5	0	61	276.384	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37142836