N-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-9483 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 473.85 |
| Molecular Formula: | C20 H17 Cl F N7 O4 |
| Smiles: | Cc1cc(NC(c2c(Cn3cc(cn3)[N+]([O-])=O)c(C)on2)=O)nn1Cc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.1318 |
| logD: | 3.0387 |
| logSw: | -3.4801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.945 |
| InChI Key: | HRZCNNLJTRIUIX-UHFFFAOYSA-N |