4-(4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4357-3447 |
| Compound Name: | 4-(4-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C20 H18 N4 O5 |
| Smiles: | CC1/C(=C/c2ccc(c(c2)[N+]([O-])=O)N(C)C)C(N(c2ccc(cc2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4094 |
| logD: | 1.0142 |
| logSw: | -3.7306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.579 |
| InChI Key: | AFYPSDOZKMTGHZ-UHFFFAOYSA-N |