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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>4</sub>N

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Extracted from

Scheme 30

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₇F₄N
Molecular Weight	145.10 g/mol
Exact Mass	145.0515 Da
InChI	InChI=1S/C4H7F4N/c1-9(2)4(7,8)3(5)6/h3H,1-2H3
InChIKey	VIRGYRZBWQFJGJ-UHFFFAOYSA-N
SMILES	CN(C)C(C(F)F)(F)F
Number of Atoms	16
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	0
XLogP	1.7

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