3-[3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Chemical Structure Depiction of
3-[3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
3-[3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one
Compound characteristics
| Compound ID: | Y501-3113 |
| Compound Name: | 3-[3-(1-ethyl-1H-pyrazol-5-yl)prop-2-enoyl]-4-hydroxy-6-methyl-2H-pyran-2-one |
| Molecular Weight: | 274.27 |
| Molecular Formula: | C14 H14 N2 O4 |
| Smiles: | CCn1c(/C=C/C(C2=C(C=C(C)OC2=O)O)=O)ccn1 |
| Stereo: | ACHIRAL |
| logP: | 0.7142 |
| logD: | -4.6422 |
| logSw: | -1.4495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.688 |
| InChI Key: | PEXZMPCBIFQGOJ-UHFFFAOYSA-N |