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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>7</sub>H<sub>11</sub>N

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Extracted from

Scheme 80

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₁₁N
Molecular Weight	109.17 g/mol
Exact Mass	109.0891 Da
InChI	InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
InChIKey	XYZMOVWWVXBHDP-UHFFFAOYSA-N
SMILES	[C-]#[N+]C1CCCCC1
Number of Atoms	19
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	1
XLogP	1.7

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