4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0384 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 423.35 |
| Molecular Formula: | C18 H16 F3 N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3cccc(c3)C(F)(F)F)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2938 |
| logD: | 3.2882 |
| logSw: | -3.7726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.623 |
| InChI Key: | SQVPKKCUSFQSGA-UHFFFAOYSA-N |