4-Aminopyrazole-3-carboxylic Acid - CAS 116008-52-7

Name: 4-Aminopyrazole-3-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003682
Product Name:	4-Aminopyrazole-3-carboxylic Acid
CAS:	116008-52-7
Synonyms:	4-amino-1H-pyrazole-5-carboxylic acid; 4-amino-1H-pyrazole-5-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-amino-1H-pyrazole-5-carboxylic acid
Description:	4-Aminopyrazole-3-carboxylic Acid (CAS# 116008-52-7) is a useful research chemical.
Molecular Weight:	127.10
Molecular Formula:	C4H5N3O2
Canonical SMILES:	C1=NNC(=C1N)C(=O)O
InChI:	InChI=1S/C4H5N3O2/c5-2-1-6-7-3(2)4(8)9/h1H,5H2,(H,6,7)(H,8,9)
InChI Key:	SHRRRNSPESGSCM-UHFFFAOYSA-N
Boiling Point:	502.7 °C at 760 mmHg
Density:	1.677 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD09263801
LogP:	0.27130

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2018262528-A1	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
CA-3062185-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
CN-110914263-A	Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors	20170504
EP-3619209-A1	Substituted bicyclic heterocyclic compounds as nadph oxidase inhibitors	20170504
KR-20200013665-A	Bicyclic heterocyclic compounds substituted as NADPH oxidase inhibitors	20170504

PMID	Publication Date	Title	Journal
21381732	20110330	Rational design of β-sheet ligands against Aβ42-induced toxicity	Journal of the American Chemical Society
17470302	20070501	An easy synthesis of 5-functionally substituted ethyl 4-amino-1-aryl- pyrazolo-3-carboxylates: interesting precursors to sildenafil analogues	Beilstein journal of organic chemistry

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.038176411
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	127.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	92 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1