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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>12</sub>H<sub>14</sub>N<sub>2</sub>O<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	C₁₂H₁₄N₂O₃
Molecular Weight	234.25 g/mol
Exact Mass	234.1004 Da
InChI	InChI=1S/C12H14N2O3/c1-15-10-6-8(9-4-5-13-14-9)7-11(16-2)12(10)17-3/h4-7H,1-3H3,(H,13,14)
InChIKey	NBUSEKUPSWKJJG-UHFFFAOYSA-N
SMILES	COC1=CC(=CC(=C1OC)OC)C2=CC=NN2
Number of Atoms	31
Number of H-Bond Acceptors	5
Number of H-Bond Donors	1
Atoms in the Largest π-System	14
XLogP	1.9

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