1-(adamantan-1-yl)-N-(3-fluoro-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(3-fluoro-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(3-fluoro-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-2988 |
| Compound Name: | 1-(adamantan-1-yl)-N-(3-fluoro-4-methylphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C21 H23 F N4 O3 |
| Smiles: | Cc1ccc(cc1F)NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0198 |
| logD: | 4.7957 |
| logSw: | -4.7253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.006 |
| InChI Key: | BYZJVUOEPJZFSW-UHFFFAOYSA-N |