N-(adamantan-1-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-(adamantan-1-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1791 |
| Compound Name: | N-(adamantan-1-yl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 304.35 |
| Molecular Formula: | C15 H20 N4 O3 |
| Smiles: | Cn1c(C(NC23CC4CC(CC(C4)C3)C2)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2368 |
| logD: | 2.2364 |
| logSw: | -2.6012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.944 |
| InChI Key: | KWIKSIMHVGDBQU-UHFFFAOYSA-N |