N-(adamantan-1-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(adamantan-1-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-7734 |
| Compound Name: | N-(adamantan-1-yl)-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CCn1cc(c(C(NC23CC4CC(CC(C4)C3)C2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5625 |
| logD: | 2.5624 |
| logSw: | -2.7581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.476 |
| InChI Key: | NXXXKLBITLHCIY-UHFFFAOYSA-N |