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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>HF<sub>9</sub>N<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	C₆HF₉N₂
Molecular Weight	272.07 g/mol
Exact Mass	271.9996 Da
InChI	InChI=1S/C6HF9N2/c7-4(8,9)1-2(5(10,11)12)16-17-3(1)6(13,14)15/h(H,16,17)
InChIKey	FTPCKDUEVYSIIY-UHFFFAOYSA-N
SMILES	C1(=C(C(F)(F)F)NN=C1C(F)(F)F)C(F)(F)F
Number of Atoms	18
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	5
XLogP	3.5

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