methyl N-[3-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[3-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
methyl N-[3-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-8726 |
| Compound Name: | methyl N-[3-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-beta-alaninate |
| Molecular Weight: | 321.76 |
| Molecular Formula: | C15 H16 Cl N3 O3 |
| Smiles: | Cn1c(cc(c2cccc(c2)[Cl])n1)C(NCCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9685 |
| logD: | 1.9685 |
| logSw: | -3.0073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.588 |
| InChI Key: | YIDWJUGFMRTLSQ-UHFFFAOYSA-N |