3-{3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
3-{3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
3-{3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 3615-0196 |
| Compound Name: | 3-{3-methyl-4-[(4-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C19 H16 N2 O3 |
| Smiles: | CC1/C(=C/c2ccc(C)cc2)C(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9528 |
| logD: | 1.067 |
| logSw: | -3.8941 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.995 |
| InChI Key: | GULXVTVVWSMVOU-UHFFFAOYSA-N |