5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1-ethyl-5-methyl-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-ethyl-5-methyl-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-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5182 |
| Compound Name: | 5-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 405.83 |
| Molecular Formula: | C14 H15 Cl F3 N7 S |
| Smiles: | CCn1c(C)c(cn1)n1c(Cn2c(C)c(c(C(F)(F)F)n2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.346 |
| logD: | -0.2104 |
| logSw: | -2.3543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.805 |
| InChI Key: | LQCGSSYXBXFTGY-UHFFFAOYSA-N |