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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1S)-1-[3-chloro-4-(4-phenylpyra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 8.72 -57.08 3 3 1 45 298.797 3 ↓
Hi High (pH 8-9.5) 2.07 8.4 -7.98 2 3 0 44 297.789 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1R)-1-[3-chloro-4-(4-phenylpyra…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 8.72 -56.18 3 3 1 45 298.797 3 ↓
Hi High (pH 8-9.5) 2.07 8.42 -7.05 2 3 0 44 297.789 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-phenylpyraz…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 8.87 -56.78 3 3 1 45 343.248 3 ↓
Hi High (pH 8-9.5) 2.20 8.55 -7.71 2 3 0 44 342.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-(4-phenylpyrazol-1-yl)phenyl]ethanamine (1R)-1-[3-bromo-4-(4-phenylpyraz…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 8.87 -55.94 3 3 1 45 343.248 3 ↓
Hi High (pH 8-9.5) 2.20 8.57 -6.75 2 3 0 44 342.24 3 ↓

Analogs

2559778
2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(4-bromophenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile 5-amino-4-(4-bromophenyl)-1-[2,6…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.32 11.18 -6.98 2 4 0 68 476.083 3 ↓

Analogs

2559778
2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(4-chlorophenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile 5-amino-4-(4-chlorophenyl)-1-[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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.19 11.07 -7.01 2 4 0 68 431.632 3 ↓

Analogs

2559778
2559778

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(4-fluorophenyl)pyrazole-3-carbonitrile 5-amino-1-[2,6-dichloro-4-(trifl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.68 10.62 -7.49 2 4 0 68 415.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-4-(3-chloro-4-fluoro-phenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitri 5-amino-4-(3-chloro-4-fluoro-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.29 11.11 -7.41 2 4 0 68 449.622 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-propyl-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.62 11.67 -19.63 1 6 0 73 391.471 7 ↓

Analogs

35742512
35742512

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3-methylbutanoylamino)phenyl]-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3-methylbutanoylamino)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.23 13.83 -18.72 1 6 0 73 433.552 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-[(2-methoxyacetyl)amino]phenyl]-5-propyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-[(2-methoxyacetyl)amino]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.56 11.75 -22.46 1 7 0 82 421.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-phenyl-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 10.99 -20.05 1 6 0 73 377.444 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(4-fluorophenyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.33 11.06 -17.68 1 6 0 73 395.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(o-tolyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(o-toly…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.78 11.99 -19.68 1 6 0 73 391.471 7 ↓

Analogs

35742526
35742526

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(o-tolyl)-4-[4-(propanoylamino)phenyl]-5-propyl-pyrazol-3-yl] [2-(o-tolyl)-4-[4-(propanoylamin…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.62 12.8 -19.34 1 6 0 73 405.498 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(3-fluorophenyl)-5-propyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(3-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.52 11.05 -20.45 1 6 0 73 395.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3-methylbutanoylamino)phenyl]-2-(m-tolyl)-5-propyl-pyrazol-3-yl] [4-[4-(3-methylbutanoylamino)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.42 13.82 -19.03 1 6 0 73 433.552 9 ↓

Analogs

35742535
35742535

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(m-tolyl)-4-[4-(propanoylamino)phenyl]-5-propyl-pyrazol-3-yl] [2-(m-tolyl)-4-[4-(propanoylamin…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.64 12.46 -19.73 1 6 0 73 405.498 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-2-(m-tolyl)-5-propyl-pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.74 14.34 -18.2 1 6 0 73 447.579 9 ↓

Analogs

35742579
35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(2-methylpropan…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.94 13.73 -16.66 1 6 0 73 433.552 8 ↓

Analogs

35742581
35742581

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(3-methylbutano…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.47 14.42 -16.54 1 6 0 73 447.579 9 ↓

Analogs

35742579
35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(propanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(propanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.70 12.74 -17.17 1 6 0 73 419.525 8 ↓

Analogs

35742581
35742581

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isobutyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.79 14.61 -15.58 1 6 0 73 461.606 9 ↓

Analogs

35742579
35742579

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-2-phenyl-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [5-isobutyl-2-phenyl-4-[4-(propa…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.25 12.4 -17.74 1 6 0 73 405.498 8 ↓

Analogs

35742576
35742576

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenyl-pyrazol-3-yl] [5-isobutyl-4-[4-[(2-methoxyacet…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.36 11.66 -22.59 1 7 0 82 421.497 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(4-fluorophenyl)-5-isobutyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.58 11.29 -17.17 1 6 0 73 409.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-isobutyl-2-(m-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-isobuty…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.05 12.25 -17.87 1 6 0 73 405.498 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(2-methylpropan…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.13 13.71 -17.03 1 6 0 73 433.552 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isobutyl-4-[4-(3-methylbutano…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.66 14.41 -16.9 1 6 0 73 447.579 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isobutyl-2-(m-tolyl)-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [5-isobutyl-2-(m-tolyl)-4-[4-(pr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 12.73 -17.53 1 6 0 73 419.525 8 ↓

Analogs

37266835
37266835

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-5-isopropyl-2-(p-tolyl)pyrazol-3-yl] [4-(4-acetamidophenyl)-5-isoprop…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.60 11.47 -17.74 1 6 0 73 391.471 6 ↓

Analogs

36145282
36145282

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.68 12.95 -16.94 1 6 0 73 419.525 7 ↓

Analogs

36145271
36145271
36145285
36145285
36145287
36145287

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(3-methylbutan…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.21 13.65 -16.7 1 6 0 73 433.552 8 ↓

Analogs

36145285
36145285
36145287
36145287
36145269
36145269

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isopropyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.53 14.17 -16.03 1 6 0 73 447.579 8 ↓

Analogs

36145264
36145264

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-phenyl-pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.23 12.26 -19.17 1 6 0 73 405.498 7 ↓

Analogs

36145287
36145287
36145269
36145269
36145271
36145271

Draw Identity 99% 90% 80% 70%

Popular Name: [5-isopropyl-4-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-pyrazol-3-yl] [5-isopropyl-4-[4-(3-methylbutan…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.76 12.98 -17.3 1 6 0 73 419.525 8 ↓

Analogs

36145269
36145269
36145271
36145271
36145285
36145285

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-isopropyl-2-phenyl-pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.08 13.48 -18.09 1 6 0 73 433.552 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(4-acetamidophenyl)-2-(3-fluorophenyl)-5-isopropyl-pyrazol-3-yl] [4-(4-acetamidophenyl)-2-(3-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.50 10.86 -20.39 1 6 0 73 395.434 6 ↓

Analogs

37488249
37488249

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Popular Name: [2-(3-fluorophenyl)-5-isopropyl-4-[4-(propanoylamino)phenyl]pyrazol-3-yl] [2-(3-fluorophenyl)-5-isopropyl-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.34 11.7 -18.2 1 6 0 73 409.461 7 ↓

Analogs

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Popular Name: [2-(3-fluorophenyl)-5-isopropyl-4-[4-[(2-methoxyacetyl)amino]phenyl]pyrazol-3-yl] [2-(3-fluorophenyl)-5-isopropyl-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.45 10.95 -23.21 1 7 0 82 425.46 8 ↓

Analogs

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Popular Name: [5-isopropyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(m-tolyl)pyrazol-3-yl] [5-isopropyl-4-[4-(2-methylpropa…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.87 12.94 -17.26 1 6 0 73 419.525 7 ↓

Analogs

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Popular Name: [5-ethyl-4-[4-(2-methylpropanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-ethyl-4-[4-(2-methylpropanoyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.20 12.36 -19.07 1 6 0 73 405.498 7 ↓

Analogs

36145406
36145406

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Popular Name: [5-ethyl-4-[4-(3-methylbutanoylamino)phenyl]-2-(p-tolyl)pyrazol-3-yl] [5-ethyl-4-[4-(3-methylbutanoyla…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.73 13.06 -18.88 1 6 0 73 419.525 8 ↓

Analogs

36145403
36145403

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Popular Name: [4-[4-(3,3-dimethylbutanoylamino)phenyl]-5-ethyl-2-(p-tolyl)pyrazol-3-yl] [4-[4-(3,3-dimethylbutanoylamino…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.05 13.57 -18.07 1 6 0 73 433.552 8 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-N-[(2R)-2-dimethylamino-3-methyl-butyl]-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-[(2R)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 11.25 -45.07 2 7 1 70 437.564 9 ↓
Hi High (pH 8-9.5) 3.60 9.3 -12.64 1 7 0 69 436.556 9 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-2-dimethylamino-3-methyl-butyl]-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-[(2S)-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 10.91 -45.03 2 7 1 70 437.564 9 ↓
Hi High (pH 8-9.5) 3.60 8.62 -12.72 1 7 0 69 436.556 9 ↓

Analogs

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Popular Name: 4-(3,4-dimethoxyphenyl)-N-methoxy-1-phenyl-pyrazole-3-carboxamide 4-(3,4-dimethoxyphenyl)-N-methox…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 7.82 -16.44 1 7 0 75 353.378 6 ↓

Analogs

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Popular Name: 1-(2-methoxyphenyl)-4-phenyl-pyrazole 1-(2-methoxyphenyl)-4-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 8.84 -10.08 0 3 0 27 250.301 3 ↓

Analogs

4845713
4845713
5724269
5724269

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Popular Name: 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-3,5-dimethyl-pyrazole 4-(3,4-dichlorophenyl)-1-(4-ethy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.03 2.75 -6.71 0 2 0 17 345.273 3 ↓

Analogs

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Popular Name: 4-(2-chloro-4-nitro-phenyl)-1-(4-fluorophenyl)pyrazole 4-(2-chloro-4-nitro-phenyl)-1-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.11 10.47 -10.24 0 5 0 64 317.707 3 ↓

Parameters Provided:

ring.id = 2713
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 2713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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