N-[(adamantan-1-yl)methyl]-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(adamantan-1-yl)methyl]-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-[(adamantan-1-yl)methyl]-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2098 |
| Compound Name: | N-[(adamantan-1-yl)methyl]-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C17 H24 N4 O3 |
| Smiles: | Cc1c(c(C(NCC23CC4CC(CC(C4)C3)C2)=O)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0751 |
| logD: | 3.0751 |
| logSw: | -3.2565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.498 |
| InChI Key: | SHNHFCHFWBWSEA-UHFFFAOYSA-N |