AC1MF4ZT
4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_008542|Oprea1_304683|Oprea1_354240|HMS611E06|BAS 02982845|AB00119119-01|4-(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid|SR-01000474239-1|4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid|F0877-0019|4-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)(2-pyrazolinyl)]-4-oxobutanoic ac id
| Molecular Formula | C21H21FN2O5 |
|---|---|
| Molecular Weight | 400.14346 g/mol |
| LogP | 3.3854 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.14346 |
| Monoisotopic Mass | 400.14346 |
| Heavy Atoms | 29 |
| Complexity | 942.5877 |
Chemical Identifiers
| CAS Number | 369394-39-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CCC(=O)O)OC |
Product Overview
AC1MF4ZT (CAS 369394-39-8), with molecular formula C21H21FN2O5 and molecular weight 400.14346 g/mol. IUPAC: 4-[5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.