N-[(adamantan-1-yl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
N-[(adamantan-1-yl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1711 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 375.82 |
| Molecular Formula: | C17 H21 Cl F3 N3 O |
| Smiles: | Cn1c(C(NCC23CC4CC(CC(C4)C3)C2)=O)c(c(C(F)(F)F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3484 |
| logD: | 4.3484 |
| logSw: | -4.6184 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.747 |
| InChI Key: | MNEWCTKRKXTKBD-UHFFFAOYSA-N |