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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>12</sub>F<sub>2</sub>N<sub>2</sub>

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Extracted from

Scheme 81

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₂F₂N₂
Molecular Weight	270.28 g/mol
Exact Mass	270.0969 Da
InChI	InChI=1S/C16H12F2N2/c17-13-5-1-11(2-6-13)9-15-10-16(20-19-15)12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,19,20)
InChIKey	AUMGQXRMZVMKIL-UHFFFAOYSA-N
SMILES	C1=C(C=CC(=C1)F)CC2=NNC(=C2)C3=CC=C(C=C3)F
Number of Atoms	32
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	2.1

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