ethyl 4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
ethyl 4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C301-3344 |
| Compound Name: | ethyl 4-[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C21 H29 N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0589 |
| logD: | 3.0589 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.343 |
| InChI Key: | HORCUYLCOCAXHT-UHFFFAOYSA-N |