2-(3,4-dimethylphenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dimethylphenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3152 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-methyl-4-[(4-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C19 H17 N3 O3 |
| Smiles: | CC1/C(=C\c2ccc(cc2)[N+]([O-])=O)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6503 |
| logD: | 4.6502 |
| logSw: | -4.5802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.968 |
| InChI Key: | OVEFOIACWROHSX-UHFFFAOYSA-N |