methyl N-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
methyl N-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-8727 |
| Compound Name: | methyl N-[3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate |
| Molecular Weight: | 317.34 |
| Molecular Formula: | C16 H19 N3 O4 |
| Smiles: | Cn1c(cc(c2ccc(cc2)OC)n1)C(NCCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4117 |
| logD: | 1.4117 |
| logSw: | -2.1416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.132 |
| InChI Key: | MPEBSDRZJKOGHJ-UHFFFAOYSA-N |