4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4357-3357 |
| Compound Name: | 4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-2-(4-ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C21 H22 N4 O3 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C/c2ccc(c(c2)[N+]([O-])=O)N(C)C)\C(C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4919 |
| logD: | 4.4919 |
| logSw: | -4.4394 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.171 |
| InChI Key: | UIYHEOMMHBMKHK-UHFFFAOYSA-N |