3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2,3,5,6-tetrafluorophenyl)methyl]-1H-pyrazol-3-yl}benzamide
Chemical Structure Depiction of
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2,3,5,6-tetrafluorophenyl)methyl]-1H-pyrazol-3-yl}benzamide
3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2,3,5,6-tetrafluorophenyl)methyl]-1H-pyrazol-3-yl}benzamide
Compound characteristics
| Compound ID: | Y501-7833 |
| Compound Name: | 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(2,3,5,6-tetrafluorophenyl)methyl]-1H-pyrazol-3-yl}benzamide |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C23 H18 F4 N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2ccn(Cc3c(c(cc(c3F)F)F)F)n2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7023 |
| logD: | 3.62 |
| logSw: | -4.2023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.347 |
| InChI Key: | FUEXAJQWFBICEH-UHFFFAOYSA-N |