1-(adamantan-1-yl)-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-8265 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H26 N6 O3 |
| Smiles: | Cc1c(c(C)n(C)n1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1465 |
| logD: | 1.8332 |
| logSw: | -2.5554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.45 |
| InChI Key: | QLNIPPCEFKWWOI-UHFFFAOYSA-N |