A1IS2

8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline

Created:	2024-10-28
Last modified:	2025-03-12

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1 entries where A1IS2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	16

2D diagram of A1IS2

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Chemical Component Summary
Name	8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline
Systematic Name (OpenEye OEToolkits)	8-(3,5-dimethyl-1~{H}-pyrazol-4-yl)quinoline
Formula	C₁₄ H₁₃ N₃
Molecular Weight	223.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]nc(C)c1c2cccc3cccnc23
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)C)c2cccc3c2nccc3
Canonical SMILES	CACTVS	3.385	Cc1[nH]nc(C)c1c2cccc3cccnc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n[nH]1)C)c2cccc3c2nccc3
InChI	InChI	1.06	InChI=1S/C14H13N3/c1-9-13(10(2)17-16-9)12-7-3-5-11-6-4-8-15-14(11)12/h3-8H,1-2H3,(H,16,17)
InChIKey	InChI	1.06	GYFCQCULMGSZEK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	39840348

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