methyl 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
methyl 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 6047-0020 |
| Compound Name: | methyl 5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 236.65 |
| Molecular Formula: | C11 H9 Cl N2 O2 |
| Smiles: | COC(c1cc(c2ccc(cc2)[Cl])[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8942 |
| logD: | 2.8942 |
| logSw: | -3.6639 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.902 |
| InChI Key: | CJTXOTLTFMCCSV-UHFFFAOYSA-N |