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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>10</sub>H<sub>7</sub>N<sub>3</sub>

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₇N₃
Molecular Weight	169.18 g/mol
Exact Mass	169.0640 Da
InChI	InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,(H,12,13)
InChIKey	KBVIWLGAVURNLR-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C#N)C2=CC=NN2
Number of Atoms	20
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	13
XLogP	1.1

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