4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | D522-0329 |
| Compound Name: | 4-chloro-1-methyl-N-[3-(methylsulfanyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 349.76 |
| Molecular Formula: | C13 H11 Cl F3 N3 O S |
| Smiles: | Cn1c(c(c(C(Nc2cccc(c2)SC)=O)n1)[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.3958 |
| logD: | 3.3957 |
| logSw: | -4.235 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.392 |
| InChI Key: | XBFBGFYHAQDDQE-UHFFFAOYSA-N |