4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4357-0230 |
| Compound Name: | 4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[N+]([O-])=O)N(C)C)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6985 |
| logD: | 4.6984 |
| logSw: | -4.641 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.171 |
| InChI Key: | HSFPNDXRCIJNSN-UHFFFAOYSA-N |