1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | 3852-0053 |
| Compound Name: | 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methylphenoxy)ethan-1-one |
| Molecular Weight: | 358.36 |
| Molecular Formula: | C17 H21 F3 N2 O3 |
| Smiles: | CCCCC1CC(C(F)(F)F)(N(C(COc2ccccc2C)=O)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.573 |
| logD: | 3.5729 |
| logSw: | -3.6221 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.751 |
| InChI Key: | KKHSVEODDKEBHK-INIZCTEOSA-N |