3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | Y507-3129 |
| Compound Name: | 3-(5-oxo-3-propyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 246.26 |
| Molecular Formula: | C13 H14 N2 O3 |
| Smiles: | CCCC1CC(N(c2cccc(c2)C(O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.26 |
| logD: | -0.6258 |
| logSw: | -2.2595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.078 |
| InChI Key: | OEGWWGDLMDYAAN-UHFFFAOYSA-N |