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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>4</sub>H<sub>7</sub>F<sub>3</sub>N]<sup>+</sup>

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Extracted from

Scheme 30

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₄H₇F₃N]⁺
Molecular Weight	126.10 g/mol
Exact Mass	126.0531 Da
InChI	InChI=1S/C4H7F3N/c1-8(2)4(7)3(5)6/h3H,1-2H3/q+1
InChIKey	AMLWTIAZTSWNQI-UHFFFAOYSA-N
SMILES	C[N+](=C(C(F)F)F)C
Number of Atoms	15
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	2
XLogP	1.0

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