2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | D475-0373 |
| Compound Name: | 2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C22 H24 F3 N5 O2 S |
| Smiles: | Cc1c(C)sc(n1)n1c(c(CC(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c(C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.4274 |
| logD: | 3.4274 |
| logSw: | -3.7396 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.867 |
| InChI Key: | SYUKHHQPNMYFGF-UHFFFAOYSA-N |