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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>6</sub>H<sub>5</sub>F<sub>3</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 67

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₅F₃N₂O₂
Molecular Weight	194.11 g/mol
Exact Mass	194.0303 Da
InChI	InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-4(11-10-3)6(7,8)9/h2H,1H3,(H,10,11)
InChIKey	UCKDGWZKTSPBOO-UHFFFAOYSA-N
SMILES	COC(=O)C1=CC(=NN1)C(F)(F)F
Number of Atoms	18
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	8
XLogP	1.6

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