1-Tosylpyrozole - CAS 6126-10-9

Catalog:	BB031026
Product Name:	1-Tosylpyrozole
CAS:	6126-10-9
Synonyms:	1-(4-methylphenyl)sulfonylpyrazole; 1-(4-methylphenyl)sulfonylpyrazole

Technical Data

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Computed Properties

IUPAC Name:	1-(4-methylphenyl)sulfonylpyrazole
Description:	1-Tosylpyrozole (CAS# 6126-10-9 ) is a useful research chemical.
Molecular Weight:	222.26
Molecular Formula:	C10H10N2O2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=N2
InChI:	InChI=1S/C10H10N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11-12/h2-8H,1H3
InChI Key:	XDFZXGSBGXAPLS-UHFFFAOYSA-N
Boiling Point:	391.1 °C at 760 mmHg
Density:	1.29 g/cm³
LogP:	2.50930

Publication Number	Title	Priority Date
CN-107162976-A	A kind of method for the 1 sulfonyl 1H pyrazoles for synthesizing substitution	20170707
CN-110291081-A	Benzimidazole compound as C-KIT inhibitor	20161215
KR-20190045212-A	PUMA GILROL COMPOUND AND METHODS OF MAKING AND USING	20160811
CN-108473464-A	The isoindoline ketone inhibitors of MDM2-P53 interactions with active anticancer	20150929
EP-3356344-A1	Isoindolinone inhibitors of the mdm2-p53 interaction having anticancer activity	20150929

PMID	Publication Date	Title	Journal
19143754	20090201	Antinociceptive effect of a novel tosylpyrazole compound in mice	Basic & clinical pharmacology & toxicology
16395736	20060501	A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles	Magnetic resonance in chemistry : MRC
12054975	20020614	Reactivities of novel [hydroxy(tosyloxy)iodo]arenes and [hydroxy(phosphoryloxy)iodo]arenes for alpha-tosyloxylation and alpha-phosphoryloxylation of ketones	The Journal of organic chemistry

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Carbonyl Compounds

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(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
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[1018141-88-2]
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[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.04629874
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.04629874
Rotatable Bond Count:	2
Topological Polar Surface Area:	60.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8