ethyl N-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-beta-alaninate
ethyl N-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-beta-alaninate
Compound characteristics
Compound ID: | G532-0084 |
Compound Name: | ethyl N-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-beta-alaninate |
Molecular Weight: | 282.34 |
Molecular Formula: | C13 H22 N4 O3 |
Smiles: | CCOC(CCNC(NCc1c(C)nn(C)c1C)=O)=O |
Stereo: | ACHIRAL |
logP: | -0.243 |
logD: | -0.243 |
logSw: | -0.369 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.297 |
InChI Key: | WMCUCPRICINKMY-UHFFFAOYSA-N |