AC1MJDPA
4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: Oprea1_414170|Oprea1_584803|BAS 01917919|AG-690/15436602|SR-01000356767-1|F0742-0106|4-[3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid|4-(3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C21H21ClN2O5 |
|---|---|
| Molecular Weight | 416.1139 g/mol |
| LogP | 3.8997 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1139 |
| Monoisotopic Mass | 416.1139 |
| Heavy Atoms | 29 |
| Complexity | 942.5877 |
Chemical Identifiers
| CAS Number | 332935-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=C(C=C3)Cl)OC |
Product Overview
AC1MJDPA (CAS 332935-76-9), with molecular formula C21H21ClN2O5 and molecular weight 416.1139 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
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