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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>11</sub>H<sub>13</sub>NO

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Extracted from

Scheme 27 Scheme 31

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₁H₁₃NO
Molecular Weight	175.23 g/mol
Exact Mass	175.0997 Da
InChI	InChI=1S/C11H13NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+
InChIKey	HUTKDPINCSJXAA-CMDGGOBGSA-N
SMILES	CN(C)/C=C/C(=O)C1=CC=CC=C1
Number of Atoms	26
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	1.8

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