3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4812 |
| Compound Name: | 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 337.17 |
| Molecular Formula: | C14 H13 Br N2 O3 |
| Smiles: | Cn1c(/C=C/C(c2ccc(c(c2)OC)O)=O)c(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1427 |
| logD: | 1.6459 |
| logSw: | -2.4116 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.389 |
| InChI Key: | ZXCZOZZXSXKXJJ-UHFFFAOYSA-N |