5-(2-Furyl)-3-(trifluoromethyl)pyrazole - CAS 197507-85-0

Catalog:	BB015259
Product Name:	5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CAS:	197507-85-0
Synonyms:	3-(2-furanyl)-5-(trifluoromethyl)-1H-pyrazole; 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole

Technical Data

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Computed Properties

IUPAC Name:	3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
Description:	5-(2-Furyl)-3-(trifluoromethyl)pyrazole (CAS# 197507-85-0) is used as a reactant in the synthesis of novel anthranilic diamides containing N-substituted nitrophenylpyrazole to be used as potential insecticides.
Molecular Weight:	202.13
Molecular Formula:	C8H5F3N2O
Canonical SMILES:	C1=COC(=C1)C2=NNC(=C2)C(F)(F)F
InChI:	InChI=1S/C8H5F3N2O/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChI Key:	WLHBEPWHYFFYHR-UHFFFAOYSA-N
LogP:	2.68850

Publication Number	Title	Priority Date
WO-2015051572-A1	Class of substituted phenyl pyrazole amide derivatives and preparation method and use thereof	20130929
US-2008280925-A1	Amines as Small Molecule Inhibitors	20070228
US-8338437-B2	Amines as small molecule inhibitors	20070228
JP-2007070346-A	Anthranilamides, production methods thereof, and pest control agents containing them	20050812
JP-2006232814-A	Anthranilamides, production methods thereof, and pest control agents containing them	20050125

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.03539727
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.03539727
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9