4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1302 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-{1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C23 H26 F3 N7 S |
| Smiles: | CC(Cn1c(C)cc(C(F)(F)F)n1)c1nnc(n1c1c(C)nn(Cc2ccc(C)cc2)c1C)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4202 |
| logD: | 0.905 |
| logSw: | -3.4067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.338 |
| InChI Key: | XXJPHIJGYGOQFT-AWEZNQCLSA-N |