N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4449 |
| Compound Name: | N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 380.24 |
| Molecular Formula: | C16 H18 Br N3 O3 |
| Smiles: | Cc1c(c(C)n(CCCNC(c2ccc3c(c2)OCO3)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0898 |
| logD: | 2.0898 |
| logSw: | -2.9093 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.14 |
| InChI Key: | DBWPCMDUMGKDKJ-UHFFFAOYSA-N |