diethyl 1-(2-oxo-2-phenylethyl)-1H-pyrazole-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-(2-oxo-2-phenylethyl)-1H-pyrazole-3,5-dicarboxylate
diethyl 1-(2-oxo-2-phenylethyl)-1H-pyrazole-3,5-dicarboxylate
Compound characteristics
| Compound ID: | S553-0114 |
| Compound Name: | diethyl 1-(2-oxo-2-phenylethyl)-1H-pyrazole-3,5-dicarboxylate |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C17 H18 N2 O5 |
| Smiles: | CCOC(c1cc(C(=O)OCC)n(CC(c2ccccc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9103 |
| logD: | 1.9103 |
| logSw: | -2.4601 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.951 |
| InChI Key: | SCISBHYDADHQIC-UHFFFAOYSA-N |