2-(3-chloro-4-methylphenyl)-4-{[2-(dimethylamino)-5-nitrophenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chloro-4-methylphenyl)-4-{[2-(dimethylamino)-5-nitrophenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chloro-4-methylphenyl)-4-{[2-(dimethylamino)-5-nitrophenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3697-0088 |
| Compound Name: | 2-(3-chloro-4-methylphenyl)-4-{[2-(dimethylamino)-5-nitrophenyl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H19 Cl N4 O3 |
| Smiles: | CC1/C(=C/c2cc(ccc2N(C)C)[N+]([O-])=O)C(N(c2ccc(C)c(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.029 |
| logD: | 5.029 |
| logSw: | -5.3037 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.472 |
| InChI Key: | YQSDVQWHPZSBOP-UHFFFAOYSA-N |