5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-3291 |
| Compound Name: | 5-methyl-4-[(4-nitrophenyl)methylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C17 H13 N3 O3 |
| Smiles: | CC1/C(=C/c2ccc(cc2)[N+]([O-])=O)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3914 |
| logD: | 3.3914 |
| logSw: | -3.7062 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.968 |
| InChI Key: | PPHQWNUDYSYGAC-UHFFFAOYSA-N |