1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1H-tetrazol-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1H-tetrazol-1-yl)phenyl]ethan-1-one
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1H-tetrazol-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | Y502-1420 |
| Compound Name: | 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(1H-tetrazol-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 354.29 |
| Molecular Formula: | C14 H13 F3 N6 O2 |
| Smiles: | CC1CC(C(F)(F)F)(N(C(Cc2ccc(cc2)n2cnnn2)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3808 |
| logD: | 1.3808 |
| logSw: | -1.8579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.201 |
| InChI Key: | VVJJSNFJTPZMLH-ZDUSSCGKSA-N |