5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5717 |
| Compound Name: | 5-{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-4-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C21 H19 F4 N7 S |
| Smiles: | C(Cn1c(cc(C(F)(F)F)n1)C1CC1)c1nnc(n1c1ccn(Cc2ccccc2F)n1)S |
| Stereo: | ACHIRAL |
| logP: | 3.6686 |
| logD: | 3.0455 |
| logSw: | -3.9875 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.746 |
| InChI Key: | ICLVOCKUBDJEOK-UHFFFAOYSA-N |