4-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y508-1575 |
| Compound Name: | 4-(4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C18 H14 N2 O3 |
| Smiles: | CC1/C(=C\c2ccccc2)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4398 |
| logD: | 1.0446 |
| logSw: | -3.517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | XVQIMXCPWMKAOY-UHFFFAOYSA-N |