4-{[4-(dimethylamino)phenyl]methylidene}-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)phenyl]methylidene}-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)phenyl]methylidene}-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3966-4519 |
| Compound Name: | 4-{[4-(dimethylamino)phenyl]methylidene}-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CCCC1/C(=C\c2ccc(cc2)N(C)C)C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5077 |
| logD: | 4.5077 |
| logSw: | -4.3781 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.503 |
| InChI Key: | ZTQBDPYCHCCTJS-UHFFFAOYSA-N |