2-chloro-5-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-3134 |
| Compound Name: | 2-chloro-5-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 383.83 |
| Molecular Formula: | C20 H18 Cl N3 O3 |
| Smiles: | CC1/C(=C/c2ccc(cc2)N(C)C)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8606 |
| logD: | 0.0575 |
| logSw: | -4.0153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.8 |
| InChI Key: | QLZKGCFIIUJKMX-UHFFFAOYSA-N |