4-{3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
4-{3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 2817-4657 |
| Compound Name: | 4-{3-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid |
| Molecular Weight: | 351.32 |
| Molecular Formula: | C18 H13 N3 O5 |
| Smiles: | CC1/C(=C/c2cccc(c2)[N+]([O-])=O)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2439 |
| logD: | 0.8487 |
| logSw: | -3.2326 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.377 |
| InChI Key: | OKOSFSLFSWXDGJ-UHFFFAOYSA-N |