AC1NJY9V structure

AC1NJY9V

2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-5-(trifluoromethyl)phenyl)acetamide|2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide|2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-[2-chloro-5-(tr ifluoromethyl)phenyl]acetamide|2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

CAS: 879463-10-2
Molecular Formula C15H13ClF3N7OS
Molecular Weight 431.0543 g/mol
LogP 3.09342
Topological Polar Surface Area 114.51 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 431.0543
Monoisotopic Mass 431.0543
Heavy Atoms 28
Complexity 1017.47595

Chemical Identifiers

CAS Number 879463-10-2
SMILES CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Product Overview

AC1NJY9V (CAS 879463-10-2), with molecular formula C15H13ClF3N7OS and molecular weight 431.0543 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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