| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | Yes |
Popular Name: 1-Phenyl-1H-pyrazole-4-carboxylic acid 1-Phenyl-1H-pyrazole-4-carboxyli…
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CAS Numbers: 1134-50-5 , [1134-50-5]
1-Phenyl-1H-pyrazole-4-carboxylic acid, 99%
1-Phenyl-1H-Pyrazole-4-CarboxylicAcid
1-Phenylpyrazole-4-carboxylic acid; BRN 0139486; LS-128381; Pyrazole-4-carboxylic acid, 1-phenyl-
| 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) | 1.16 | 5.34 | -49.99 | 0 | 4 | -1 | 58 | 187.178 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.63e+00 g/l | DrugBank-experimental |
| MP | 175 - 182 | Enamine Building Blocks |
| MP | 221 - 223 | Enamine Building Blocks |
| MP | 221...223 | Enamine Building Blocks |
| MP | 222-227° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.