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2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid

2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid - CAS 1171599-18-0

Catalog:	BB052741
Product Name:	2-(1-((1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)acetic acid
CAS:	1171599-18-0
Synonyms:	(1-[(1,3-Dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetic acid
Molecular Weight:	301.36
Molecular Formula:	C12H19N3O4S
Canonical SMILES:	CC1=NN(C=C1S(=O)(=O)N2CCC(CC2)CC(=O)O)C
InChI:	InChI=1S/C12H19N3O4S/c1-9-11(8-14(2)13-9)20(18,19)15-5-3-10(4-6-15)7-12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)
InChI Key:	GPNBNSAAZAOGDK-UHFFFAOYSA-N
Boiling Point:	524.5±60.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Piperidines

[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1005629-22-0]
Ethyl 1-((1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl)piperidine-3-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

Complexity:	454
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	301.10962727
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.10962727
Rotatable Bond Count:	4
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0