N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-7712 |
| Compound Name: | N-[1-(adamantan-1-yl)-1H-pyrazol-3-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C18 H22 N6 O3 |
| Smiles: | Cn1cc(c(C(Nc2ccn(C34CC5CC(CC(C5)C4)C3)n2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7701 |
| logD: | 1.7082 |
| logSw: | -3.2464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.265 |
| InChI Key: | DSDQUPWQEWGEMI-UHFFFAOYSA-N |