1-(adamantan-1-yl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3343 |
| Compound Name: | 1-(adamantan-1-yl)-N-[2-(4-methylphenyl)ethyl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | Cc1ccc(CCNC(c2c(cn(C34CC5CC(CC(C5)C4)C3)n2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3183 |
| logD: | 4.3182 |
| logSw: | -4.2559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.17 |
| InChI Key: | GAHPJQPYWDAMQO-UHFFFAOYSA-N |