methyl N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-L-alaninate
Chemical Structure Depiction of
methyl N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-L-alaninate
methyl N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-L-alaninate
Compound characteristics
| Compound ID: | Y043-2756 |
| Compound Name: | methyl N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carbonyl]-L-alaninate |
| Molecular Weight: | 321.76 |
| Molecular Formula: | C15 H16 Cl N3 O3 |
| Smiles: | C[C@@H](C(=O)OC)NC(c1cc(c2ccc(cc2)[Cl])nn1C)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4616 |
| logD: | 2.4616 |
| logSw: | -3.5671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.505 |
| InChI Key: | DGCRNPNDGDPJMJ-VIFPVBQESA-N |