2-chloro-5-(4-{[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(4-{[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(4-{[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 3615-0099 |
| Compound Name: | 2-chloro-5-(4-{[1-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C23 H19 Cl N4 O3 |
| Smiles: | CC1/C(=C/c2cnn(c2)c2ccc(C)c(C)c2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7895 |
| logD: | 0.9864 |
| logSw: | -4.6511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.353 |
| InChI Key: | ILMULYUJJINOJQ-UHFFFAOYSA-N |