{3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl}[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
Chemical Structure Depiction of
{3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl}[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
{3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl}[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone
Compound characteristics
| Compound ID: | Y044-4460 |
| Compound Name: | {3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-5-yl}[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone |
| Molecular Weight: | 418.42 |
| Molecular Formula: | C20 H21 F3 N6 O |
| Smiles: | CC(C)Cc1ccc(cc1)c1cc(C(N2CCn3c(C2)nnc3C(F)(F)F)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.829 |
| logD: | 3.8286 |
| logSw: | -4.0374 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.082 |
| InChI Key: | ODBHWLRXOUKUHB-UHFFFAOYSA-N |