N-(3-acetylphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(3-acetylphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y508-1078 |
| Compound Name: | N-(3-acetylphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 288.26 |
| Molecular Formula: | C13 H12 N4 O4 |
| Smiles: | CC(c1cccc(c1)NC(c1c(cn(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1175 |
| logD: | 0.9861 |
| logSw: | -2.1812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.592 |
| InChI Key: | RSGPJHOPJMOJER-UHFFFAOYSA-N |