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Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyclopropyl-2-methyl-pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-5-c…

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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) 3.07 7.6 -28.28 3 3 1 45 266.727 2 ↓
Mid Mid (pH 6-8) 3.07 7.49 -6.66 2 3 0 44 265.719 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1S,2R)-2-methylcyclopropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.26 -27.95 3 3 1 45 280.754 2 ↓
Mid Mid (pH 6-8) 3.68 8.16 -6.21 2 3 0 44 279.746 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1S,2S)-2-methylcyclopropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.27 -28.36 3 3 1 45 280.754 2 ↓
Mid Mid (pH 6-8) 3.68 8.16 -6.44 2 3 0 44 279.746 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1R,2R)-2-methylcyclopropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.27 -28.45 3 3 1 45 280.754 2 ↓
Mid Mid (pH 6-8) 3.68 8.16 -6.55 2 3 0 44 279.746 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-2-methyl-5-[(1R,2S)-2-methylcyclopropyl]pyrazol-3-amine 4-(2-chloro-4-fluoro-phenyl)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 8.26 -28.14 3 3 1 45 280.754 2 ↓
Mid Mid (pH 6-8) 3.68 8.16 -6.19 2 3 0 44 279.746 2 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-(m-tolyl)-1H-pyrazol-3-amine 5-cyclopropyl-4-(m-tolyl)-1H-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) 2.66 6.34 -5.48 3 3 0 55 213.284 2 ↓
Mid Mid (pH 6-8) 2.66 6.47 -27.69 4 3 1 56 214.292 2 ↓

Analogs

36935484
36935484

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Popular Name: 5-cyclopropyl-4-(p-tolyl)-1H-pyrazol-3-amine 5-cyclopropyl-4-(p-tolyl)-1H-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) 2.68 6.31 -5.48 3 3 0 55 213.284 2 ↓
Mid Mid (pH 6-8) 2.69 6.51 -27.56 4 3 1 56 214.292 2 ↓

Analogs

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Popular Name: 3-cyclopropyl-4-(3,5-difluorophenyl)-1H-pyrazol-5-amine 3-cyclopropyl-4-(3,5-difluorophe…

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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) 2.49 5.83 -5.4 3 3 0 55 235.237 2 ↓
Mid Mid (pH 6-8) 2.49 5.94 -31.89 4 3 1 56 236.245 2 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)-3-[(1S,2R)-2-methylcyclopropyl]-1H-pyrazol-5-amine 4-(3,5-difluorophenyl)-3-[(1S,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) 3.10 6.5 -5.1 3 3 0 55 249.264 2 ↓
Lo Low (pH 4.5-6) 3.10 6.6 -31.72 4 3 1 56 250.272 2 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)-3-[(1S,2S)-2-methylcyclopropyl]-1H-pyrazol-5-amine 4-(3,5-difluorophenyl)-3-[(1S,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) 3.10 6.5 -5.28 3 3 0 55 249.264 2 ↓
Lo Low (pH 4.5-6) 3.10 6.61 -32.17 4 3 1 56 250.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-3-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazol-5-amine 4-(3,5-difluorophenyl)-3-[(1R,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) 3.10 6.54 -5.17 3 3 0 55 249.264 2 ↓
Lo Low (pH 4.5-6) 3.10 6.64 -32.06 4 3 1 56 250.272 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-3-[(1R,2S)-2-methylcyclopropyl]-1H-pyrazol-5-amine 4-(3,5-difluorophenyl)-3-[(1R,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) 3.10 6.54 -5.08 3 3 0 55 249.264 2 ↓
Lo Low (pH 4.5-6) 3.10 6.63 -31.59 4 3 1 56 250.272 2 ↓

Analogs

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Popular Name: 5-cyclopropyl-4-(3,5-difluorophenyl)-2-methyl-pyrazol-3-amine 5-cyclopropyl-4-(3,5-difluorophe…

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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) 2.56 7.2 -29.85 3 3 1 45 250.272 2 ↓
Mid Mid (pH 6-8) 2.56 7.09 -6.3 2 3 0 44 249.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-2-methyl-5-[(1S,2R)-2-methylcyclopropyl]pyrazol-3-amine 4-(3,5-difluorophenyl)-2-methyl-…

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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) 3.17 7.76 -5.96 2 3 0 44 263.291 2 ↓
Mid Mid (pH 6-8) 3.17 7.86 -29.67 3 3 1 45 264.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-2-methyl-5-[(1S,2S)-2-methylcyclopropyl]pyrazol-3-amine 4-(3,5-difluorophenyl)-2-methyl-…

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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) 3.17 7.76 -6.25 2 3 0 44 263.291 2 ↓
Mid Mid (pH 6-8) 3.17 7.87 -30.07 3 3 1 45 264.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-2-methyl-5-[(1R,2R)-2-methylcyclopropyl]pyrazol-3-amine 4-(3,5-difluorophenyl)-2-methyl-…

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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) 3.17 7.79 -6.11 2 3 0 44 263.291 2 ↓
Mid Mid (pH 6-8) 3.17 7.9 -29.95 3 3 1 45 264.299 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-difluorophenyl)-2-methyl-5-[(1R,2S)-2-methylcyclopropyl]pyrazol-3-amine 4-(3,5-difluorophenyl)-2-methyl-…

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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) 3.17 7.79 -5.94 2 3 0 44 263.291 2 ↓
Mid Mid (pH 6-8) 3.17 7.9 -29.57 3 3 1 45 264.299 2 ↓

Parameters Provided:

ring.id = 149234
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 = 149234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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