3-cyano-4-trifluoromethylsulfenyl-5-(N-trifluoroacetylamino)pyrazole

HCID 178418360
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Basic information

Standard SMILES
N#Cc1n[nH]c(NC(=O)C(F)(F)F)c1SC(F)(F)F
InChIKey
HHIOUMLZEVSFIC-UHFFFAOYSA-N
Molecular formula
C7H2F6N4OS
Average molar mass
304.17 g/mol
Monoisotopic mass
303.98535085

Names & identifiers

Preferred name
3-cyano-4-trifluoromethylsulfenyl-5-(N-trifluoroacetylamino)pyrazole
IUPAC
N-[5-cyano-4-(trifluoromethylsulfanyl)-1H-pyrazol-3-yl]-2,2,2-trifluoroacetamide

Names & synonyms

SCHEMBL8023382HHIOUMLZEVSFIC-UHFFFAOYSA-N3-cyano-4-trifluoromethylsulfenyl-5-(N-trifluoroacetylamino)pyrazole

Database identifiers

PubChem CID
19692990

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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