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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>24</sub>H<sub>20</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 40

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₄H₂₀N₂O₂
Molecular Weight	368.43 g/mol
Exact Mass	368.1525 Da
InChI	InChI=1S/C24H20N2O2/c1-26-24(20-6-4-3-5-7-20)22(18-10-8-17(16-27)9-11-18)23(25-26)19-12-14-21(28-2)15-13-19/h3-16H,1-2H3
InChIKey	GOWORZFUXCYKFM-UHFFFAOYSA-N
SMILES	CN1C(=C(C2=CC=C(C=C2)C=O)C(=N1)C3=CC=C(C=C3)OC)C4=CC=CC=C4
Number of Atoms	48
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	26
XLogP	3.3

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