4-(1-benzyl-1H-pyrazol-4-yl)-5-{[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-{[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8762 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C20 H18 F3 N7 S |
| Smiles: | C1CC1c1cc(C(F)(F)F)nn1Cc1nnc(n1c1cnn(Cc2ccccc2)c1)S |
| Stereo: | ACHIRAL |
| logP: | 2.7375 |
| logD: | 2.0606 |
| logSw: | -2.7598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.421 |
| InChI Key: | QWLYODFTVPCRGM-UHFFFAOYSA-N |