1-(2H-1,3-benzodioxol-5-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
1-(2H-1,3-benzodioxol-5-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4243 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 284.31 |
| Molecular Formula: | C16 H16 N2 O3 |
| Smiles: | CCn1cc(\C=C/C(c2ccc3c(c2)OCO3)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4018 |
| logD: | 2.4018 |
| logSw: | -2.7976 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.184 |
| InChI Key: | WAJJUUJVHBDXEA-UHFFFAOYSA-N |