N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | Y501-8202 |
| Compound Name: | N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C26 H24 N4 O4 |
| Smiles: | Cc1cc(C)cc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(C)nn(c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8374 |
| logD: | 5.7885 |
| logSw: | -5.5412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.877 |
| InChI Key: | SHIHOKSSIMKWBU-UHFFFAOYSA-N |