2-(4-Nitro-1H-pyrazol-1-yl)butanoic acid - CAS 1005669-62-4

Catalog:	BB046301
Product Name:	2-(4-Nitro-1H-pyrazol-1-yl)butanoic acid
CAS:	1005669-62-4
Synonyms:	2-(4-Nitro-pyrazol-1-yl)-butyric acid; 2-(4-nitropyrazolyl)butanoic acid

Technical Data

Computed Properties

IUPAC Name:	2-(4-nitropyrazol-1-yl)butanoic acid
Description:	2-(4-Nitro-1H-pyrazol-1-yl)butanoic acid (CAS# 1005669-62-4 ) is a useful research chemical.
Molecular Weight:	199.16
Molecular Formula:	C7H9N3O4
Canonical SMILES:	CCC(C(=O)O)N1C=C(C=N1)[N+](=O)[O-]
InChI:	InChI=1S/C7H9N3O4/c1-2-6(7(11)12)9-4-5(3-8-9)10(13)14/h3-4,6H,2H2,1H3,(H,11,12)
InChI Key:	WCWIOBFYLVTFFO-UHFFFAOYSA-N
Boiling Point:	393.0±22.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[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
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

Pyrazoles

[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[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
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.05930578
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.05930578
Rotatable Bond Count:	3
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7