N-(5-tert-butyl-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-tert-butyl-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(5-tert-butyl-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-2003 |
| Compound Name: | N-(5-tert-butyl-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C17 H22 N4 O4 |
| Smiles: | Cc1c(c(C(Nc2cc(ccc2OC)C(C)(C)C)=O)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.272 |
| logD: | 3.2423 |
| logSw: | -3.725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.075 |
| InChI Key: | ABVSPGGRBKVWIU-UHFFFAOYSA-N |