N-(2H-1,3-benzodioxol-5-yl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y508-6949 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-bromo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 324.13 |
| Molecular Formula: | C12 H10 Br N3 O3 |
| Smiles: | Cn1c(C(Nc2ccc3c(c2)OCO3)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.035 |
| logD: | 2.0215 |
| logSw: | -2.7912 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.961 |
| InChI Key: | WPRYIUFRKKEKSL-UHFFFAOYSA-N |