2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Chemical Structure Depiction of
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Compound characteristics
| Compound ID: | C614-5942 |
| Compound Name: | 2-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one |
| Molecular Weight: | 395.81 |
| Molecular Formula: | C19 H17 Cl F3 N3 O |
| Smiles: | Cc1ccc(cc1)C1N(C(N2CCCN12)=O)c1ccc(c(c1)C(F)(F)F)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1127 |
| logD: | 5.1127 |
| logSw: | -5.4389 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.24 |
| InChI Key: | LYIQKTKAABOVCV-KRWDZBQOSA-N |