5-methyl-2-(2-methylphenyl)-4-[(3-nitroanilino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(2-methylphenyl)-4-[(3-nitroanilino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(2-methylphenyl)-4-[(3-nitroanilino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-3371 |
| Compound Name: | 5-methyl-2-(2-methylphenyl)-4-[(3-nitroanilino)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | CC1\C(=C/Nc2cccc(c2)[N+]([O-])=O)C(N(c2ccccc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6314 |
| logD: | 3.6265 |
| logSw: | -3.8766 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.268 |
| InChI Key: | MTPJQUHPIFVHOI-UHFFFAOYSA-N |