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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>15</sub>H<sub>13</sub>N<sub>3</sub>O

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Extracted from

Scheme 49

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₃N₃O
Molecular Weight	251.28 g/mol
Exact Mass	251.1059 Da
InChI	InChI=1S/C15H13N3O/c19-15-10-14(12-6-2-1-3-7-12)18(17-15)11-13-8-4-5-9-16-13/h1-10H,11H2,(H,17,19)
InChIKey	LSWKPOWHLNTSRK-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CC(=NN2CC3=NC=CC=C3)O
Number of Atoms	32
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	12
XLogP	1.8

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