1-(adamantan-1-yl)-4-nitro-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3331 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | C(CNC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8949 |
| logD: | 3.8948 |
| logSw: | -4.2035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.17 |
| InChI Key: | QWUFGVDSEKAQQS-UHFFFAOYSA-N |