5-methyl-2-(4-methylphenyl)-4-[(2-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-methylphenyl)-4-[(2-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-methylphenyl)-4-[(2-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8445 |
| Compound Name: | 5-methyl-2-(4-methylphenyl)-4-[(2-nitrophenyl)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C18 H15 N3 O3 |
| Smiles: | CC1/C(=C\c2ccccc2[N+]([O-])=O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6871 |
| logD: | 3.6871 |
| logSw: | -4.0296 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.667 |
| InChI Key: | YGPLBYMHBLFPEX-UHFFFAOYSA-N |