1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
Compound ID: | 4607-1381 |
Compound Name: | 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
Molecular Weight: | 358.36 |
Molecular Formula: | C17 H21 F3 N2 O3 |
Smiles: | CC(C)(C)C1(CC(C(F)(F)F)=NN1C(Cc1ccc(cc1)OC)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.222 |
logD: | 3.222 |
logSw: | -3.1452 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.806 |
InChI Key: | PRVRHBXUVATFGA-INIZCTEOSA-N |