N-(adamantan-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(adamantan-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(adamantan-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-2075 |
| Compound Name: | N-(adamantan-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | Cc1c(c(C(NC2C3CC4CC(C3)CC2C4)=O)n(C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.328 |
| logD: | 2.328 |
| logSw: | -2.3303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.647 |
| InChI Key: | MNFJEDBOULNRAK-UHFFFAOYSA-N |