3,4-Diiodo-5-methyl-1H-pyrazole - CAS 6715-87-3

Catalog:	BB033201
Product Name:	3,4-Diiodo-5-methyl-1H-pyrazole
CAS:	6715-87-3
Synonyms:	3,4-diiodo-5-methyl-1H-pyrazole; 3,4-diiodo-5-methyl-1H-pyrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3,4-diiodo-5-methyl-1H-pyrazole
Description:	3,4-Diiodo-5-methyl-1H-pyrazole (CAS# 6715-87-3 ) is a useful research chemical.
Molecular Weight:	333.90
Molecular Formula:	C4H4I2N2
Canonical SMILES:	CC1=C(C(=NN1)I)I
InChI:	InChI=1S/C4H4I2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChI Key:	FPLNGDMFVSCNHK-UHFFFAOYSA-N
LogP:	1.92730

Publication Number	Title	Priority Date
AU-2007288245-A1	2- (pyrazin-2-yl) -thiazole and 2- (1h-pyrazol-3-yl) -thiazole derivatives as well as related compounds as stearoyl-CoA desaturase (SCD) inhibitors for the treatment of metabolic, cardiovascular and other disorders	20060824
BR-PI0719122-A2	ORGANIC COMPOUNDS	20060824
CA-2661017-A1	Organic compounds	20060824
EP-2086970-A2	2-(pyrazin-2-yl)-thiazole and 2-(1h pyrazol-3-yl)-thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and other disorders	20060824
EP-2086970-B1	2-(pyrazin-2-yl)-thiazole and 2-(1h pyrazol-3-yl)-thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and other disorders	20060824

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Complexity:	88.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.84639
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	333.84639
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2