methyl 4-{[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}benzoate
methyl 4-{[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y043-2778 |
| Compound Name: | methyl 4-{[3-(2-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 369.81 |
| Molecular Formula: | C19 H16 Cl N3 O3 |
| Smiles: | Cn1c(cc(c2ccccc2[Cl])n1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8415 |
| logD: | 3.8405 |
| logSw: | -4.2834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.748 |
| InChI Key: | CGLBFVWUKKWVLS-UHFFFAOYSA-N |