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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>9</sub>H<sub>9</sub>N

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Extracted from

Scheme 45

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₉N
Molecular Weight	131.17 g/mol
Exact Mass	131.0735 Da
InChI	InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey	BLRHMMGNCXNXJL-UHFFFAOYSA-N
SMILES	CN1C=CC2=C1C=CC=C2
Number of Atoms	19
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	9
XLogP	1.7

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