User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (1)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (20)

ZINC36749341

• 36749341

Physical Representations

Activity (Go SEA)

• 36749346
  

  Analogs

  49227566

  

  52291383

  

  52291385

  

  52291388

  

  52291390

  

  Popular Name: N-[(1S)-1,3-dimethylbutyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S)-1,3-dimethylbutyl]-2,5-d…

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  Vendors

  • PubChem

    • 43554293

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  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)	2.46	6.73	-7.38	1	6	0	76	240.307	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749346
• 36749347
  

  Analogs

  49227566

  

  52291383

  

  52291385

  

  52291388

  

  52291390

  

  Popular Name: N-[(1R)-1,3-dimethylbutyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R)-1,3-dimethylbutyl]-2,5-d…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554293

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  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)	2.46	7	-7.75	1	6	0	76	240.307	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749347
• 36749067
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N3-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R,2S,3S)-2,3-dimethylcyclo…

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  Vendors

  • PubChem

    • 43554058

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  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)	2.39	4.84	-4.73	3	4	0	56	236.363	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.39	4.96	-24.45	4	4	1	57	237.371	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749067
• 36749068
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N3-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S,2S,3S)-2,3-dimethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554058

  • Enamine BB Make on Demand

    • BBV-25180777

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    • BBV-25180777

  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)	2.39	4.6	-5.49	3	4	0	56	236.363	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.39	4.72	-24.54	4	4	1	57	237.371	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749068
• 36749069
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1R,2S,3R)-2,3-dimethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554058

  • Enamine BB Make on Demand

    • BBV-25180777

  • UORSY BB Make-on-demand

    • BBV-25180777

  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)	2.39	5.43	-4.4	3	4	0	56	236.363	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.39	5.56	-24.66	4	4	1	57	237.371	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749069
• 36749070
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,5-dimethyl-pyrazole-3,4-diamine N3-[(1S,2S,3R)-2,3-dimethylcyclo…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554058

  • Enamine BB Make on Demand

    • BBV-25180777

  • UORSY BB Make-on-demand

    • BBV-25180777

  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)	2.39	4.84	-5.45	3	4	0	56	236.363	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.39	4.96	-24.39	4	4	1	57	237.371	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749070
• 36749074
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749339

  

  Popular Name: 2,5-dimethyl-N3-[(1R,2S)-2-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R,2S)-2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554062

  • Enamine BB Make on Demand

    • BBV-25180781

  • UORSY BB Make-on-demand

    • BBV-25180781

  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)	2.15	4.96	-4.54	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.15	5.08	-24.43	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749074
• 36749076
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749339

  

  Popular Name: 2,5-dimethyl-N3-[(1R,2R)-2-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R,2R)-2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554062

  • Enamine BB Make on Demand

    • BBV-25180781

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    • BBV-25180781

  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)	2.15	4.64	-4.75	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.15	4.77	-24.33	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749076
• 36749077
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749339

  

  Popular Name: 2,5-dimethyl-N3-[(1S,2R)-2-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S,2R)-2-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554062

  • Enamine BB Make on Demand

    • BBV-25180781

  • UORSY BB Make-on-demand

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  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)	2.15	4.65	-5.6	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.15	4.77	-24.42	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749077
• 36749095
  

  Analogs

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  36749339

  

  Popular Name: 2,5-dimethyl-N3-(4-methylcyclohexyl)pyrazole-3,4-diamine 2,5-dimethyl-N3-(4-methylcyclohe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554076

  • Enamine BB Make on Demand

    • BBV-25180799

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    • BBV-25180799

  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)	1.68	4.84	-4.68	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.68	4.97	-24.66	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749095
• 36749275
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R,2S,3S)-2,3-dimethylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554245

  • Enamine BB Make on Demand

    • BBV-25180976

  • UORSY BB Make-on-demand

    • BBV-25180976

  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)	2.86	7.8	-7.79	1	6	0	76	266.345	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749275
• 36749276
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S,2S,3S)-2,3-dimethylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554245

  • Enamine BB Make on Demand

    • BBV-25180976

  • UORSY BB Make-on-demand

    • BBV-25180976

  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)	2.86	7.41	-6.51	1	6	0	76	266.345	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749276
• 36749277
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1R,2S,3R)-2,3-dimethylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554245

  • Enamine BB Make on Demand

    • BBV-25180976

  • UORSY BB Make-on-demand

    • BBV-25180976

  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)	2.86	8.41	-7.23	1	6	0	76	266.345	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749277
• 36749278
  

  Analogs

  36749282

  

  36749283

  

  36749284

  

  36749285

  

  36749338

  

  Popular Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,5-dimethyl-4-nitro-pyrazol-3-amine N-[(1S,2S,3R)-2,3-dimethylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554245

  • Enamine BB Make on Demand

    • BBV-25180976

  • UORSY BB Make-on-demand

    • BBV-25180976

  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)	2.86	7.65	-6.53	1	6	0	76	266.345	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749278
• 36749327
  

  Analogs

  36749338

  

  36749339

  

  36749340

  

  36749341

  

  48755786

  

  Popular Name: 2,5-dimethyl-N3-[(1R,3S)-3-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1R,3S)-3-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554281

  • Enamine BB Make on Demand

    • BBV-25181015

  • UORSY BB Make-on-demand

    • BBV-25181015

  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)	1.91	4.54	-4.9	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.91	4.67	-24.5	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749327
• 36749328
  

  Analogs

  36749338

  

  36749339

  

  36749340

  

  36749341

  

  48755786

  

  Popular Name: 2,5-dimethyl-N3-[(1S,3S)-3-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S,3S)-3-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554281

  • Enamine BB Make on Demand

    • BBV-25181015

  • UORSY BB Make-on-demand

    • BBV-25181015

  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)	1.91	4.49	-5.74	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.91	4.61	-24.66	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749328
• 36749330
  

  Analogs

  36749338

  

  36749339

  

  36749340

  

  36749341

  

  48755786

  

  Popular Name: 2,5-dimethyl-N3-[(1S,3R)-3-methylcyclohexyl]pyrazole-3,4-diamine 2,5-dimethyl-N3-[(1S,3R)-3-methy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554281

  • Enamine BB Make on Demand

    • BBV-25181015

  • UORSY BB Make-on-demand

    • BBV-25181015

  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)	1.91	4.18	-5.73	3	4	0	56	222.336	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.91	4.31	-24.55	4	4	1	57	223.344	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749330
• 36749338
  

  Analogs

  36749339

  

  36749340

  

  36749341

  

  36749346

  

  36749347

  

  Popular Name: 2,5-dimethyl-N-[(1R,3S)-3-methylcyclohexyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(1R,3S)-3-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554288

  • Enamine BB Make on Demand

    • BBV-25181023

  • UORSY BB Make-on-demand

    • BBV-25181023

  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)	2.39	7.48	-7.86	1	6	0	76	252.318	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749338
• 36749339
  

  Analogs

  36749340

  

  36749341

  

  36749346

  

  36749347

  

  36749067

  

  Popular Name: 2,5-dimethyl-N-[(1S,3S)-3-methylcyclohexyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(1S,3S)-3-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554288

  • Enamine BB Make on Demand

    • BBV-25181023

  • UORSY BB Make-on-demand

    • BBV-25181023

  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)	2.39	7.3	-7.48	1	6	0	76	252.318	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749339
• 36749340
  

  Analogs

  36749341

  

  36749067

  

  36749068

  

  Popular Name: 2,5-dimethyl-N-[(1R,3R)-3-methylcyclohexyl]-4-nitro-pyrazol-3-amine 2,5-dimethyl-N-[(1R,3R)-3-methyl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43554288

  • Enamine BB Make on Demand

    • BBV-25181023

  • UORSY BB Make-on-demand

    • BBV-25181023

  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)	2.39	7.8	-7.25	1	6	0	76	252.318	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC36749340