N-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y502-0688 |
| Compound Name: | N-{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-4-yl}-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 470.87 |
| Molecular Formula: | C21 H19 Cl N6 O5 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(C(Nc3cnn(COc4ccc(cc4)[Cl])c3)=O)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2232 |
| logD: | 3.212 |
| logSw: | -3.6421 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.713 |
| InChI Key: | ZBBJBLVACFOMBU-UHFFFAOYSA-N |