N-[(adamantan-1-yl)methyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[(adamantan-1-yl)methyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2405 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 420.27 |
| Molecular Formula: | C17 H21 Br F3 N3 O |
| Smiles: | Cn1c(C(NCC23CC4CC(CC(C4)C3)C2)=O)c(c(C(F)(F)F)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3706 |
| logD: | 4.3706 |
| logSw: | -4.1846 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.747 |
| InChI Key: | INUYEXUKYRNHOJ-UHFFFAOYSA-N |