1H-Pyrazole-4-sulfonyl chloride - CAS 288148-34-5

Catalog:	BB019964
Product Name:	1H-Pyrazole-4-sulfonyl chloride
CAS:	288148-34-5
Synonyms:	1-methylpyrazole-4-sulfonyl chloride

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-methylpyrazole-4-sulfonyl chloride
Description:	1H-Pyrazole-4-sulfonyl chloride (CAS# 288148-34-5) is used as a reagent in the preparation of benzoindazoles as glucocorticoid receptor modulators.
Molecular Weight:	166.59
Molecular Formula:	C3H3ClN2O2S
Canonical SMILES:	CN1C=C(C=N1)S(=O)(=O)Cl
InChI:	InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChI Key:	RDAVKKQKMLINOH-UHFFFAOYSA-N
Boiling Point:	364.206 ℃ at 760 mmHg
Purity:	95 %
Density:	1.706 g/cm³
MDL:	MFCD04968667
LogP:	1.42840

Publication Number	Title	Priority Date
US-2021107901-A1	Bicyclic amines as cdk2 inhibitors	20191011
WO-2021072232-A1	Bicyclic amines as cdk2 inhibitors	20191011
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
US-2020347067-A1	Tricyclic amine compounds as cdk2 inhibitors	20190501

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Related Functional Groups

Pyrazoles

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.9760263
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.9760263
Rotatable Bond Count:	1
Topological Polar Surface Area:	60.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3