5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}furan-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}furan-2-carboxamide
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}furan-2-carboxamide
Compound characteristics
| Compound ID: | Y502-0829 |
| Compound Name: | 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-{1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-yl}furan-2-carboxamide |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C21 H19 F N6 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(Nc3ccn(Cc4cccc(c4)F)n3)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8592 |
| logD: | 2.8531 |
| logSw: | -3.3444 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.188 |
| InChI Key: | VHJIIUYAAXOWEX-UHFFFAOYSA-N |