diethyl 4-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-3,5-dicarboxylate
diethyl 4-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8020-5723 |
| Compound Name: | diethyl 4-amino-1-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-3,5-dicarboxylate |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C16 H17 N3 O6 |
| Smiles: | CCOC(c1c(c(C(=O)OCC)n(c2ccc3c(c2)OCO3)n1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0448 |
| logD: | 2.0448 |
| logSw: | -2.5692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.888 |
| InChI Key: | JESATXSKZUGIDR-UHFFFAOYSA-N |