AC1MJ3I0 structure

AC1MJ3I0

4-[(3-ethoxy-4-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Also Known As: BAS 01364842|NCGC00098657-01|AJ-145/37124003|4,4'-[(3-ethoxy-4-hydroxyphenyl)methanediyl]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)|4-[(3-ETHOXY-4-HYDROXYPHENYL)(5-HYDROXY-3-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYL]-3-METHYL-1-PHENYL-1H-PYRAZOL-5-OL|4,4'-((3-ethoxy-4-hydroxyphenyl)methylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)|4,4'-[(3-ethoxy-4-hydroxyphenyl)methylene]bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)|4-[(3-ethoxy-4-hydroxyphenyl)(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methyl]- 3-methyl-1-phenylpyrazol-5-ol|4-[(3-ethoxy-4-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

CAS: 405899-49-2
Molecular Formula C29H28N4O4
Molecular Weight 496.21106 g/mol
LogP 4.54594
Topological Polar Surface Area 105.04 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 496.21106
Monoisotopic Mass 496.21106
Heavy Atoms 37
Complexity 1562.305

Chemical Identifiers

CAS Number 405899-49-2
SMILES CCOC1=C(C=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)O

Product Overview

AC1MJ3I0 (CAS 405899-49-2), with molecular formula C29H28N4O4 and molecular weight 496.21106 g/mol. IUPAC: 4-[(3-ethoxy-4-hydroxyphenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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