3,5-dimethyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]adamantane-1-carboxamide
Chemical Structure Depiction of
3,5-dimethyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]adamantane-1-carboxamide
3,5-dimethyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y502-4112 |
| Compound Name: | 3,5-dimethyl-N-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]adamantane-1-carboxamide |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C19 H28 N4 O3 |
| Smiles: | Cc1cc(nn1CCNC(C12CC3CC(C)(CC(C)(C3)C2)C1)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.853 |
| logD: | 2.853 |
| logSw: | -3.196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.55 |
| InChI Key: | UVGYCWUUHQJFPF-UHFFFAOYSA-N |