1-benzyl-1H-pyrazole-3,5-dicarboxylic acid
Chemical Structure Depiction of
1-benzyl-1H-pyrazole-3,5-dicarboxylic acid
1-benzyl-1H-pyrazole-3,5-dicarboxylic acid
Compound characteristics
| Compound ID: | Y507-1247 |
| Compound Name: | 1-benzyl-1H-pyrazole-3,5-dicarboxylic acid |
| Molecular Weight: | 246.22 |
| Molecular Formula: | C12 H10 N2 O4 |
| Smiles: | C(c1ccccc1)n1c(cc(C(O)=O)n1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7152 |
| logD: | -3.898 |
| logSw: | -1.4014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.013 |
| InChI Key: | CNEVJOOKMFYKCN-UHFFFAOYSA-N |