N-[1-(adamantan-1-yl)butyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)butyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[1-(adamantan-1-yl)butyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4700 |
| Compound Name: | N-[1-(adamantan-1-yl)butyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 462.35 |
| Molecular Formula: | C20 H27 Br F3 N3 O |
| Smiles: | CCCC(C12CC3CC(CC(C3)C2)C1)NC(c1c(c(C(F)(F)F)nn1C)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0741 |
| logD: | 5.0741 |
| logSw: | -4.6804 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.378 |
| InChI Key: | WRZKXKGENKVBMM-DHMWACEASA-N |