1-(adamantan-1-yl)-N-(4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
Compound ID: | C301-3456 |
Compound Name: | 1-(adamantan-1-yl)-N-(4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
Molecular Weight: | 380.45 |
Molecular Formula: | C21 H24 N4 O3 |
Smiles: | Cc1ccc(cc1)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7934 |
logD: | 4.7896 |
logSw: | -4.5465 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.006 |
InChI Key: | JLTNQBKUXUXAAC-UHFFFAOYSA-N |