3-(1-Pyrazolyl)propionic Acid - CAS 89532-73-0

Catalog:	BB039521
Product Name:	3-(1-Pyrazolyl)propionic Acid
CAS:	89532-73-0
Synonyms:	3-(1-pyrazolyl)propanoic acid; 3-pyrazol-1-ylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-pyrazol-1-ylpropanoic acid
Description:	3-(1-Pyrazolyl)propionic Acid (CAS# 89532-73-0) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	C1=CN(N=C1)CCC(=O)O
InChI:	InChI=1S/C6H8N2O2/c9-6(10)2-5-8-4-1-3-7-8/h1,3-4H,2,5H2,(H,9,10)
InChI Key:	QSTMEFBMAAWLLV-UHFFFAOYSA-N
Boiling Point:	312.8 °C at 760 mmHg
Density:	1.26 g/cm³
LogP:	0.35780

Publication Number	Title	Priority Date
WO-2021065898-A1	Azepan derivative	20190930
WO-2020110008-A1	Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder	20181127
WO-2020058945-A1	Methods of producing pyrazole compounds	20180922
US-10703733-B2	MCL-1 inhibitors	20180514
US-2019352271-A1	Mcl-1 inhibitors	20180514

PMID	Publication Date	Title	Journal
11312922	20010412	Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3