3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4230 |
| Compound Name: | 3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-4-yl)prop-2-en-1-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C21 H23 Cl N4 O2 |
| Smiles: | Cc1c(cn(C)n1)C(/C=C/c1ccc(c(Cn2c(C)c(c(C)n2)[Cl])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0015 |
| logD: | 3.0015 |
| logSw: | -3.6964 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.288 |
| InChI Key: | QWEDYBJNWFBJMQ-UHFFFAOYSA-N |