1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | Y508-7951 |
| Compound Name: | 1-[4-(adamantan-1-yl)piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 444.93 |
| Molecular Formula: | C21 H28 Cl F3 N4 O |
| Smiles: | Cc1c(c(C(F)(F)F)nn1CC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8572 |
| logD: | 3.8169 |
| logSw: | -4.4277 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.058 |
| InChI Key: | ZZONEMKGSZAFDE-UHFFFAOYSA-N |