4-{4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
4-{4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 2817-4630 |
| Compound Name: | 4-{4-[(4-methoxy-3-nitrophenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 381.34 |
| Molecular Formula: | C19 H15 N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[N+]([O-])=O)OC)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9232 |
| logD: | 0.528 |
| logSw: | -3.3533 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.706 |
| InChI Key: | HSTSHUHKOULBAM-UHFFFAOYSA-N |