[1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid - CAS 1201643-87-9

Catalog:	BB004739
Product Name:	[1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid
CAS:	1201643-87-9
Synonyms:	(1-methylsulfonyl-4-pyrazolyl)boronic acid; (1-methylsulfonylpyrazol-4-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(1-methylsulfonylpyrazol-4-yl)boronic acid
Description:	[1-(Methylsulfonyl)-4-pyrazolyl]boronic Acid (CAS# 1201643-87-9 ) is a useful research chemical.
Molecular Weight:	189.99
Molecular Formula:	C4H7N2O4SB
Canonical SMILES:	B(C1=CN(N=C1)S(=O)(=O)C)(O)O
InChI:	InChI=1S/C4H7BN2O4S/c1-12(10,11)7-3-4(2-6-7)5(8)9/h2-3,8-9H,1H3
InChI Key:	XZYOYYJSMXNCEW-UHFFFAOYSA-N
LogP:	-1.54860

Publication Number	Title	Priority Date
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
CN-113330001-A	3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same	20181214
EP-3894398-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
KR-20210092312-A	3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same	20181214

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[380430-53-5]
2-Ethoxycarbonylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.021958
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.021958
Rotatable Bond Count:	2
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0