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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>10</sub>N<sub>2</sub>O

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₁₀N₂O
Molecular Weight	174.20 g/mol
Exact Mass	174.0793 Da
InChI	InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKey	QUSABYOAMXPMQH-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)C2=CC=NN2
Number of Atoms	23
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	12
XLogP	1.7

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