5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-4278 |
| Compound Name: | 5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 391.8 |
| Molecular Formula: | C13 H13 Cl F3 N7 S |
| Smiles: | Cc1c(cn(C)n1)n1c(Cn2c(C)c(c(C(F)(F)F)n2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 0.8175 |
| logD: | -0.7388 |
| logSw: | -2.1018 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.042 |
| InChI Key: | YCNDZNFOGXKGNU-UHFFFAOYSA-N |