{4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazin-1-yl}(furan-2-yl)methanone
Chemical Structure Depiction of
{4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazin-1-yl}(furan-2-yl)methanone
{4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazin-1-yl}(furan-2-yl)methanone
Compound characteristics
| Compound ID: | C301-3249 |
| Compound Name: | {4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazin-1-yl}(furan-2-yl)methanone |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C23 H27 N5 O5 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(N2CCN(CC2)C(c2ccco2)=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7293 |
| logD: | 2.7293 |
| logSw: | -2.9771 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.598 |
| InChI Key: | HXQAAMYEIQWOQY-UHFFFAOYSA-N |