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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>18</sub>H<sub>18</sub>N<sub>2</sub>O

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Extracted from

Scheme 74

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₈N₂O
Molecular Weight	278.35 g/mol
Exact Mass	278.1419 Da
InChI	InChI=1S/C18H18N2O/c1-13-4-6-15(7-5-13)18-12-17(19-20(18)2)14-8-10-16(21-3)11-9-14/h4-12H,1-3H3
InChIKey	HCSIGRANRZFVHR-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)C2=CC(=NN2C)C3=CC=C(C=C3)OC
Number of Atoms	39
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	18
XLogP	3.1

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