N-{3,5-dimethyl-1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-{3,5-dimethyl-1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-3985 |
| Compound Name: | N-{3,5-dimethyl-1-[(pentafluorophenyl)methyl]-1H-pyrazol-4-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 550.44 |
| Molecular Formula: | C25 H19 F5 N4 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2c(C)nn(Cc3c(c(c(c(c3F)F)F)F)F)c2C)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6664 |
| logD: | 4.6659 |
| logSw: | -4.5907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.452 |
| InChI Key: | ZPBCHNWAYMMBCN-UHFFFAOYSA-N |