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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>12</sub>H<sub>11</sub>FN<sub>2</sub>

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Extracted from

Scheme 24

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₁FN₂
Molecular Weight	202.23 g/mol
Exact Mass	202.0906 Da
InChI	InChI=1S/C12H11FN2/c13-9-6-4-8(5-7-9)12-10-2-1-3-11(10)14-15-12/h4-7H,1-3H2,(H,14,15)
InChIKey	PKAPFQFWXOMXIA-UHFFFAOYSA-N
SMILES	C1CC2=C(C1)NN=C2C3=CC=C(C=C3)F
Number of Atoms	26
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	1.7

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