3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4279 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 232.19 |
| Molecular Formula: | C11 H8 N2 O4 |
| Smiles: | C1Oc2ccc(cc2O1)c1cc(C(O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7861 |
| logD: | -3.4698 |
| logSw: | -2.132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.252 |
| InChI Key: | LMXODXZANYFXPY-UHFFFAOYSA-N |