[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-chlorophenyl)methanone
Chemical Structure Depiction of
[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-chlorophenyl)methanone
[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-chlorophenyl)methanone
Compound characteristics
Compound ID: | 8008-3617 |
Compound Name: | [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-chlorophenyl)methanone |
Molecular Weight: | 348.75 |
Molecular Formula: | C15 H16 Cl F3 N2 O2 |
Smiles: | CC(C)(C)C1(CC(C(F)(F)F)=NN1C(c1cccc(c1)[Cl])=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8041 |
logD: | 3.8041 |
logSw: | -4.0146 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.79 |
InChI Key: | NBOSOHNFWGCTQS-AWEZNQCLSA-N |