3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
Chemical Structure Depiction of
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
Compound characteristics
| Compound ID: | K951-0114 |
| Compound Name: | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid |
| Molecular Weight: | 170.16 |
| Molecular Formula: | C7 H10 N2 O3 |
| Smiles: | CC1C(CCC(O)=O)C(NN=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.574 |
| logD: | -3.0521 |
| logSw: | -0.6969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.824 |
| InChI Key: | QXCDEFDXIXQKDJ-YFKPBYRVSA-N |