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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>16</sub>H<sub>11</sub>F<sub>3</sub>N<sub>2</sub>

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Extracted from

Scheme 26

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₁F₃N₂
Molecular Weight	288.27 g/mol
Exact Mass	288.0874 Da
InChI	InChI=1S/C16H11F3N2/c17-16(18,19)13-6-8-14(9-7-13)21-11-10-15(20-21)12-4-2-1-3-5-12/h1-11H
InChIKey	PBHHNQOZSYWPDZ-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=NN(C=C2)C3=CC=C(C=C3)C(F)(F)F
Number of Atoms	32
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.4

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