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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>15</sub>H<sub>29</sub>FN<sub>2</sub>Sn

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Extracted from

Scheme 68

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₂₉FN₂Sn
Molecular Weight	375.11 g/mol
Exact Mass	376.1337 Da
InChI	InChI=1S/3C4H9.C3H2FN2.Sn/c31-3-4-2;4-3-1-5-6-2-3;/h31,3-4H2,2H3;1H,(H,5,6);
InChIKey	NYIURNDNQVVBJK-UHFFFAOYSA-N
SMILES	CCCC[Sn](CCCC)(CCCC)C1=C(C=NN1)F
Number of Atoms	48
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	5
XLogP	6.3

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