1H-Pyrazole-4-acetic Acid - CAS 934172-55-1

Name: 1H-Pyrazole-4-acetic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040912
Product Name:	1H-Pyrazole-4-acetic Acid
CAS:	934172-55-1
Synonyms:	2-(1H-pyrazol-4-yl)acetic acid; 2-(1H-pyrazol-4-yl)acetic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1H-pyrazol-4-yl)acetic acid
Description:	1H-Pyrazole-4-acetic Acid (CAS# 934172-55-1 ) is a useful research chemical.
Molecular Weight:	126.11
Molecular Formula:	C5H6N2O2
Canonical SMILES:	C1=C(C=NN1)CC(=O)O
InChI:	InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChI Key:	PXWJTOHJADWQQO-UHFFFAOYSA-N
Boiling Point:	387.3±17.0 °C (760 mmHg)
Density:	1.426±0.06 g/cm³ (20 °C, 760 mmH g)
LogP:	0.03680

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
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Publication Number	Title	Priority Date
WO-2020249760-A1	Heteroaromatic inhibitors of astacin proteinases	20190614
WO-2019089729-A1	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031
CN-111801322-A	Kinase inhibitors for the treatment of central and peripheral nervous system disorders	20171031
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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.042927438
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	126.042927438
Rotatable Bond Count:	2
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3