2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid
Compound characteristics
| Compound ID: | 8018-8191 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-4-phenylbutanoic acid |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C15 H16 N2 O3 |
| Smiles: | Cc1cc(C)n(C(CC(c2ccccc2)=O)C(O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8629 |
| logD: | -2.874 |
| logSw: | -1.6256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.302 |
| InChI Key: | JWCXDRLQQIFFKJ-ZDUSSCGKSA-N |