MLS000538056 structure

MLS000538056

[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone

Also Known As: AK-968/41923789|[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone|[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone|3,5-bis(difluoromethyl)-1-{[2-(4-isopropylphenyl)-4-quinolinyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-ol|[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{2-[4-(propan-2-yl)phenyl]quinolin-4-yl}methanone|[3,5-bis(difluoromethyl)-5-hydroxy-2-pyrazolin-1-yl]-(2-p-cumenyl-4-quinolyl)methanone|[3,5-bis[bis(fluoranyl)methyl]-5-oxidanyl-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone|3,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl) 2-[4-(methylethyl)phenyl](4-q uinolyl) ketone

CAS: 438236-74-9
Molecular Formula C24H21F4N3O2
Molecular Weight 459.15698 g/mol
LogP 5.4459
Topological Polar Surface Area 65.79 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 459.15698
Monoisotopic Mass 459.15698
Heavy Atoms 33
Complexity 1228.1113

Chemical Identifiers

CAS Number 438236-74-9
SMILES CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C(F)F)(C(F)F)O

Product Overview

MLS000538056 (CAS 438236-74-9), with molecular formula C24H21F4N3O2 and molecular weight 459.15698 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone.

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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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