N-(adamantan-1-yl)-N,1,5-trimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-N,1,5-trimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(adamantan-1-yl)-N,1,5-trimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2158 |
| Compound Name: | N-(adamantan-1-yl)-N,1,5-trimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C17 H24 N4 O3 |
| Smiles: | Cc1c(c(C(N(C)C23CC4CC(CC(C4)C3)C2)=O)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7247 |
| logD: | 2.7247 |
| logSw: | -2.7391 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.112 |
| InChI Key: | FFVNPECVPCBBED-UHFFFAOYSA-N |