1-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
1-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4241 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 256.26 |
| Molecular Formula: | C14 H12 N2 O3 |
| Smiles: | Cn1cc(\C=C/C(c2ccc3c(c2)OCO3)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.7142 |
| logD: | 1.7142 |
| logSw: | -2.0388 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.138 |
| InChI Key: | BEKDDKHOGOQOMW-UHFFFAOYSA-N |