3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-5-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-5-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-5-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y502-4231 |
| Compound Name: | 3-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-1-(1,3-dimethyl-1H-pyrazol-5-yl)prop-2-en-1-one |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C21 H23 Cl N4 O2 |
| Smiles: | Cc1cc(C(/C=C/c2ccc(c(Cn3c(C)c(c(C)n3)[Cl])c2)OC)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0805 |
| logD: | 3.0805 |
| logSw: | -3.743 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.448 |
| InChI Key: | FJSMIRIZASEPOX-UHFFFAOYSA-N |