3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y043-8308 |
| Compound Name: | 3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 236.65 |
| Molecular Formula: | C11 H9 Cl N2 O2 |
| Smiles: | Cn1c(cc(c2ccc(cc2)[Cl])n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2875 |
| logD: | -2.9454 |
| logSw: | -2.8941 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.891 |
| InChI Key: | JNOADCITUCNMIN-UHFFFAOYSA-N |