4-{[2-(2,4-dinitrophenyl)hydrazinyl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[2-(2,4-dinitrophenyl)hydrazinyl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
4-{[2-(2,4-dinitrophenyl)hydrazinyl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8569 |
| Compound Name: | 4-{[2-(2,4-dinitrophenyl)hydrazinyl]methylidene}-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 396.36 |
| Molecular Formula: | C18 H16 N6 O5 |
| Smiles: | CC1/C(=C/NNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N(c2ccc(C)cc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2005 |
| logD: | 2.4941 |
| logSw: | -3.5061 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.217 |
| InChI Key: | AQRGBVQAGJFPIC-UHFFFAOYSA-N |