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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>23</sub>H<sub>13</sub>F<sub>3</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 69

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₃H₁₃F₃N₂O₂
Molecular Weight	406.36 g/mol
Exact Mass	406.0929 Da
InChI	InChI=1S/C23H13F3N2O2/c24-16-7-1-13(2-8-16)19-20(22(29)14-3-9-17(25)10-4-14)27-28-21(19)23(30)15-5-11-18(26)12-6-15/h1-12H,(H,27,28)
InChIKey	LAGDOCOCQDRQBP-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C2=C(C(=O)C3=CC=C(C=C3)F)NN=C2C(=O)C4=CC=C(C=C4)F)F
Number of Atoms	43
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	27
XLogP	2.6

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