methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Chemical Structure Depiction of
methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
Compound characteristics
| Compound ID: | 5859-0222 |
| Compound Name: | methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate |
| Molecular Weight: | 282.26 |
| Molecular Formula: | C11 H17 F3 N2 O3 |
| Smiles: | CC(C)CCC1CC(C(F)(F)F)(N(C(=O)OC)N=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5515 |
| logD: | 2.5515 |
| logSw: | -2.0177 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.437 |
| InChI Key: | LYHASIIUCDMAQY-JTQLQIEISA-N |