N-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-nitro-1H-pyrazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-4808 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-methyl-3-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 290.23 |
| Molecular Formula: | C12 H10 N4 O5 |
| Smiles: | Cn1c(cc(n1)[N+]([O-])=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1727 |
| logD: | 1.1416 |
| logSw: | -2.308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.806 |
| InChI Key: | KJWVFPFMRWKMLZ-UHFFFAOYSA-N |