N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y501-5565 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H26 N6 O3 |
| Smiles: | Cc1c(c(C)n(CC(Nc2ccn(C34CC5CC(CC(C5)C4)C3)n2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9256 |
| logD: | 2.9203 |
| logSw: | -3.3169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.949 |
| InChI Key: | NRNKFBDNKBUUCI-UHFFFAOYSA-N |