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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>11</sub>ClN<sub>2</sub>O

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Extracted from

Scheme 29

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₁ClN₂O
Molecular Weight	234.68 g/mol
Exact Mass	234.0560 Da
InChI	InChI=1S/C12H11ClN2O/c1-8-12(9(2)16)7-14-15(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChIKey	RPOVOKHEMTUHSZ-UHFFFAOYSA-N
SMILES	CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)C
Number of Atoms	27
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	13
XLogP	1.9

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