4-(1-benzyl-1H-pyrazol-4-yl)-5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1-benzyl-1H-pyrazol-4-yl)-5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4H-1,2,4-triazole-3-thiol
4-(1-benzyl-1H-pyrazol-4-yl)-5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8949 |
| Compound Name: | 4-(1-benzyl-1H-pyrazol-4-yl)-5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C21 H20 F3 N7 S |
| Smiles: | C(Cn1c(cc(C(F)(F)F)n1)C1CC1)c1nnc(n1c1cnn(Cc2ccccc2)c1)S |
| Stereo: | ACHIRAL |
| logP: | 3.0824 |
| logD: | 2.4054 |
| logSw: | -2.926 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.4 |
| InChI Key: | IBCVJZXNIVEABG-UHFFFAOYSA-N |