5-methyl-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8437 |
| Compound Name: | 5-methyl-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C18 H15 N3 O3 |
| Smiles: | CC1/C(=C\c2cccc(c2)[N+]([O-])=O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.819 |
| logD: | 3.819 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.968 |
| InChI Key: | XOJUOPLHELTGCW-UHFFFAOYSA-N |