5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)furan-2-carboxamide
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-3782 |
| Compound Name: | 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(4-fluoro-3-nitrophenyl)furan-2-carboxamide |
| Molecular Weight: | 392.77 |
| Molecular Formula: | C17 H14 Cl F N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(Nc3ccc(c(c3)[N+]([O-])=O)F)=O)o2)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3578 |
| logD: | 3.0682 |
| logSw: | -4.1341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.533 |
| InChI Key: | HBNOFDBVCZEUHI-UHFFFAOYSA-N |