[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | E558-0162 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C25 H28 F3 N5 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9571 |
| logD: | 4.9571 |
| logSw: | -4.9864 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.824 |
| InChI Key: | PZCSKZQGJGRJHQ-UHFFFAOYSA-N |