UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-prop-2-ynyl-1-(p-tolyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide N-prop-2-ynyl-1-(p-tolyl)-5,6-di…

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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) 2.36 7.68 -11.63 1 4 0 47 279.343 3 ↓

Analogs

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Popular Name: 1-(m-tolyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(m-tolyl)-5,6-dihydro-4H-cyclo…

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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) 2.77 1.21 -65.61 0 4 -1 58 241.27 2 ↓

Analogs

22150270
22150270
34320756
34320756
36666818
36666818
36666866
36666866
36984520
36984520

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Popular Name: 1-(4-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid 1-(4-methylphenyl)-1,4,5,6-tetra…

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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) 2.58 1.23 -64.76 0 4 -1 58 241.27 2 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chlorophenyl)-5,6-dihydro-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) 3.00 0.75 -60.46 0 4 -1 58 261.688 2 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-chlorophenyl)-5,6-dihydro-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) 2.81 0.77 -61.06 0 4 -1 58 261.688 2 ↓

Analogs

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Popular Name: 1-(3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-methoxyphenyl)-5,6-dihydro-…

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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) 2.37 0.91 -68.89 0 5 -1 67 257.269 3 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-methoxyphenyl)-5,6-dihydro-…

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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) 2.19 0.92 -64.51 0 5 -1 67 257.269 3 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,4-dimethylphenyl)-5,6-dihyd…

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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 1.5 -65.54 0 4 -1 58 255.297 2 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methyl-phenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chloro-4-methyl-phenyl)-5,6…

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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) 3.40 1.06 -65.16 0 4 -1 58 275.715 2 ↓

Analogs

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Popular Name: 1-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,5-dimethylphenyl)-5,6-dihyd…

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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) 3.38 1.56 -65.12 0 4 -1 58 255.297 2 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-bromophenyl)-5,6-dihydro-4H…

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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) 2.94 0.15 -60.82 0 4 -1 58 306.139 2 ↓

Analogs

22150270
22150270

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Popular Name: 1-(4-ethylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid 1-(4-ethylphenyl)-1H,4H,5H,6H-cy…

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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) 3.04 1.39 -64.38 0 4 -1 58 255.297 3 ↓

Analogs

22150270
22150270

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Popular Name: 1-(4-tert-butylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-tert-butylphenyl)-5,6-dihyd…

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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) 3.84 2.06 -63.77 0 4 -1 58 283.351 3 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3-chloro-4-methoxy-phenyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.00 0.82 -65.82 0 5 -1 67 291.714 3 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(4-ethoxyphenyl)-5,6-dihydro-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) 2.56 0.94 -64.13 0 5 -1 67 271.296 4 ↓

Analogs

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Popular Name: 1-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic 1-(3,4-dichlorophenyl)-5,6-dihyd…

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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) 3.63 0.61 -57.26 0 4 -1 58 296.133 2 ↓

Analogs

10469743
10469743

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Popular Name: 1-(4-fluorophenyl)-N-(3-methoxypropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide 1-(4-fluorophenyl)-N-(3-methoxyp…

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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) 2.17 6.39 -10.92 1 5 0 56 317.364 6 ↓

Analogs

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Popular Name: N-(2-oxo-2-propylamino-ethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide N-(2-oxo-2-propylamino-ethyl)-1-…

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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) 2.24 5.73 -15.38 2 6 0 76 326.4 6 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-(2-oxo-2-propylamino-ethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide 1-(4-fluorophenyl)-N-(2-oxo-2-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) 2.40 5.8 -14.2 2 6 0 76 344.39 6 ↓

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-(3-isopropoxypropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide 1-(4-fluorophenyl)-N-(3-isopropo…

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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) 2.91 8.13 -10.83 1 5 0 56 345.418 7 ↓

Analogs

44259539
44259539

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Popular Name: N-(2,2-difluoroethyl)-1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole N-(2,2-difluoroethyl)-1-(3,4-dif…

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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) 3.02 10.23 -15.79 0 5 0 47 385.361 7 ↓

Analogs

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Popular Name: cyanomethyl cyanomethyl

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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) 2.17 8.88 -12.49 0 5 0 68 267.288 4 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-1-(p-tolyl)-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbo N-(2-methoxyethyl)-1-(p-tolyl)-N…

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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) 3.35 10.16 -10.65 0 5 0 47 381.398 7 ↓

Analogs

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Popular Name: N'-(2-ethoxyacetyl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazide N'-(2-ethoxyacetyl)-1-(4-ethylph…

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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) 2.11 7.83 -15.72 2 7 0 85 356.426 7 ↓

Analogs

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Popular Name: 1-(2,4-dimethylphenyl)-N'-(2-ethoxyacetyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazide 1-(2,4-dimethylphenyl)-N'-(2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.23 7.98 -15.48 2 7 0 85 356.426 6 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-N'-(2-ethoxyacetyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazide 1-(3,4-difluorophenyl)-N'-(2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 6.45 -17.46 2 7 0 85 364.352 6 ↓

Analogs

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Popular Name: N'-(2-ethoxyacetyl)-1-(o-tolyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazide N'-(2-ethoxyacetyl)-1-(o-tolyl)-…

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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) 1.80 7.31 -15.74 2 7 0 85 342.399 6 ↓

Analogs

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Popular Name: N'-(2-ethoxyacetyl)-1-(2-fluoro-4-methyl-phenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbohydrazi N'-(2-ethoxyacetyl)-1-(2-fluoro-…

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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) 1.94 7.13 -20.27 2 7 0 85 360.389 6 ↓

Analogs

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Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)ethyl

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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) 3.58 9.88 -12.77 0 5 0 53 390.308 8 ↓

Analogs

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Popular Name: 2-(2,2,2-trifluoroethoxy)ethyl 2-(2,2,2-trifluoroethoxy)ethyl

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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) 3.56 10.43 -14.9 0 5 0 53 368.355 8 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[2-[(R)-methylsulfinyl]ethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamid 1-(2-fluorophenyl)-N-[2-[(R)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 5.22 -24.41 1 5 0 64 335.404 5 ↓

Analogs

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Popular Name: 1-(2-fluorophenyl)-N-[2-[(S)-methylsulfinyl]ethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamid 1-(2-fluorophenyl)-N-[2-[(S)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.08 5.22 -24.46 1 5 0 64 335.404 5 ↓

Analogs

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Popular Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroethyl

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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) 3.93 10.49 -9.75 0 4 0 44 324.302 5 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 2.80 9.27 -12.43 0 5 0 53 300.358 6 ↓

Analogs

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Popular Name: 2-isopropoxyethyl 2-isopropoxyethyl

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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) 3.54 10.99 -12.24 0 5 0 53 328.412 7 ↓

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Popular Name: (2-amino-2-oxo-ethyl) (2-amino-2-oxo-ethyl)

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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) 1.73 6.96 -17.21 2 6 0 87 299.33 5 ↓

Analogs

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Popular Name: 2,2-difluoroethyl 2,2-difluoroethyl

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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) 3.57 10.35 -13.44 0 4 0 44 306.312 5 ↓

Analogs

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Popular Name: 3-methoxypropyl 3-methoxypropyl

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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) 3.26 9.92 -11.11 0 5 0 53 314.385 7 ↓

Analogs

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Popular Name: N-methyl-N-[2-(methylamino)-2-oxo-ethyl]-1-(o-tolyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxam N-methyl-N-[2-(methylamino)-2-ox…

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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) 2.21 7.83 -18.69 1 6 0 67 326.4 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide N-(2-amino-2-oxo-ethyl)-1-(2-flu…

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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) 0.81 2.84 -19.42 3 6 0 90 302.309 4 ↓

Analogs

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Popular Name: 2-[isobutyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]amino]acetamide 2-[isobutyl-[(1-phenyl-5,6-dihyd…

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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) 2.21 8.34 -35.4 3 5 1 65 327.452 7 ↓
Hi High (pH 8-9.5) 2.21 6.17 -15.2 2 5 0 64 326.444 7 ↓

Analogs

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Popular Name: N-[3-(methylamino)-3-oxo-propyl]-1-(o-tolyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide N-[3-(methylamino)-3-oxo-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) 1.74 5.81 -18.43 2 6 0 76 326.4 5 ↓

Analogs

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Popular Name: N-(2-amino-1,1-dimethyl-2-oxo-ethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbo N-(2-amino-1,1-dimethyl-2-oxo-et…

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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) 1.46 4.25 -11.55 3 6 0 90 330.363 4 ↓

Analogs

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Popular Name: (2S)-N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methyl]-N-methyl-1-methylsulfon (2S)-N-[[1-(4-fluorophenyl)-5,6-…

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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) 2.25 6.5 -16.37 0 5 0 55 365.474 6 ↓
Mid Mid (pH 6-8) 2.25 8.83 -42.4 1 5 1 56 366.482 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]methyl]-N-methyl-1-methylsulfon (2R)-N-[[1-(4-fluorophenyl)-5,6-…

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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) 2.25 6.47 -20.09 0 5 0 55 365.474 6 ↓
Mid Mid (pH 6-8) 2.25 8.49 -46.41 1 5 1 56 366.482 6 ↓

Analogs

44259851
44259851

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Popular Name: 1-(3,4-difluorophenyl)-N-isopropyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide 1-(3,4-difluorophenyl)-N-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) 2.89 7.48 -11.41 1 4 0 47 305.328 3 ↓

Analogs

44259539
44259539

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Popular Name: 1-(4-fluorophenyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3 1-(4-fluorophenyl)-N-[(1S)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 9.04 -9.94 0 5 0 47 331.391 5 ↓

Analogs

44259539
44259539

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-methyl-ethyl]-N-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3 1-(4-fluorophenyl)-N-[(1R)-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.47 8.94 -9.99 0 5 0 47 331.391 5 ↓

Analogs

25377975
25377975
25397460
25397460
12992890
12992890
8937575
8937575

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(ethylamino)-2-oxo-ethyl]-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide N-[2-(ethylamino)-2-oxo-ethyl]-N…

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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) 1.98 7.65 -18.57 1 6 0 67 326.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methoxy-phenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic 1-(3-fluoro-4-methoxy-phenyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 7.49 -58.18 0 5 -1 67 275.259 3 ↓

Parameters Provided:

ring.id = 11905
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 = 11905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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