N-(adamantan-1-yl)-N,1-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-N,1-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(adamantan-1-yl)-N,1-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1794 |
| Compound Name: | N-(adamantan-1-yl)-N,1-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CN(C(c1c(cnn1C)[N+]([O-])=O)=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 2.4942 |
| logD: | 2.4942 |
| logSw: | -2.2758 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.896 |
| InChI Key: | GRQLUYJTXURCIB-UHFFFAOYSA-N |