N-[1-(adamantan-1-yl)butyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)butyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[1-(adamantan-1-yl)butyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3830 |
| Compound Name: | N-[1-(adamantan-1-yl)butyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C19 H28 N4 O3 |
| Smiles: | CCCC(C12CC3CC(CC(C3)C2)C1)NC(c1c(cn(C)n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4666 |
| logD: | 3.4666 |
| logSw: | -3.8182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.752 |
| InChI Key: | NKQQRWNLJHATSI-QAQURRIXSA-N |