| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 16 | Yes |
Popular Name: methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate methyl 3-(4-chlorophenyl)-1H-pyr…
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CAS Number: 79508-09-1
5-(4-Chloro-phenyl)-1 H -pyrazole-3-carboxylic aci
5-(4-Chloro-phenyl)-1 H -pyrazole-3-carboxylic acid methyl ester
5-(4-Chloro-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester
5-(4-chlorophenyl)-2H-pyrazole-3-carboxylic acid methyl ester
| 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) | 2.74 | 5.71 | -6 | 1 | 4 | 0 | 55 | 236.658 | 3 | ↓ |
| Ref Reference (pH 7) | 2.74 | 5.68 | -7.81 | 1 | 4 | 0 | 55 | 236.658 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.