4-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
4-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
4-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 4410-3716 |
| Compound Name: | 4-(4-{[4-(diethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | CCN(CC)c1ccc(/C=C2/C(C)=NN(C2=O)c2ccc(cc2)C(O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.246 |
| logD: | 1.8508 |
| logSw: | -4.1376 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.731 |
| InChI Key: | ZBTVLEFOQBYUSL-UHFFFAOYSA-N |