N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-3068 |
| Compound Name: | N-(5-tert-butyl-2-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C16 H20 N4 O4 |
| Smiles: | CC(C)(C)c1ccc(c(c1)NC(c1c(cn(C)n1)[N+]([O-])=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.96 |
| logD: | 2.9155 |
| logSw: | -3.5143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.698 |
| InChI Key: | DIXVWUXCPISXTF-UHFFFAOYSA-N |