methyl 1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y507-3958 |
| Compound Name: | methyl 1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 268.67 |
| Molecular Formula: | C12 H10 Cl F N2 O2 |
| Smiles: | COC(c1ccn(Cc2ccc(cc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5143 |
| logD: | 2.5143 |
| logSw: | -3.0457 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.801 |
| InChI Key: | JTFIXPKUTPUTKZ-UHFFFAOYSA-N |