2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | Y502-2219 |
| Compound Name: | 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2C(Nc2ccc(cc2)OC)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1579 |
| logD: | 3.1575 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.935 |
| InChI Key: | SHXIQHFRUFAFEH-UHFFFAOYSA-N |