N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-7722 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)ethyl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | CC(c1ccc2c(c1)OCO2)NC(c1c(cn(C)n1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3184 |
| logD: | 1.3184 |
| logSw: | -2.1456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.367 |
| InChI Key: | PKZAGUYBZMMVSE-QMMMGPOBSA-N |