[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | Y503-3310 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl]{4-[4-(1-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 585.59 |
| Molecular Formula: | C27 H30 F3 N9 O3 |
| Smiles: | Cn1cc(cn1)c1cc(C(F)(F)F)nc(n1)N1CCN(CC1)C(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.511 |
| logD: | 4.511 |
| logSw: | -4.5563 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.859 |
| InChI Key: | HQVQXUWFCPLILK-UHFFFAOYSA-N |