1,1'-[1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazole-3,4-diyl]di(ethan-1-one)
Chemical Structure Depiction of
1,1'-[1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazole-3,4-diyl]di(ethan-1-one)
1,1'-[1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazole-3,4-diyl]di(ethan-1-one)
Compound characteristics
| Compound ID: | 8019-6568 |
| Compound Name: | 1,1'-[1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazole-3,4-diyl]di(ethan-1-one) |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C15 H14 N2 O4 |
| Smiles: | CC(c1c(C(C)=O)nn(c2ccc3c(c2)OCO3)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7517 |
| logD: | 1.7517 |
| logSw: | -2.1753 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.619 |
| InChI Key: | ZHBITGLCXOUARW-UHFFFAOYSA-N |