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2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic Acid

2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic Acid - CAS 1394003-86-1

Catalog:	BB008936
Product Name:	2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic Acid
CAS:	1394003-86-1
Synonyms:	2-amino-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid; 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Description:	2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic Acid (CAS# 1394003-86-1) is a useful research chemical.
Molecular Weight:	178.15
Molecular Formula:	C7H6N4O2
Canonical SMILES:	C1=CN2C(=C(C(=N2)N)C(=O)O)N=C1
InChI:	InChI=1S/C7H6N4O2/c8-5-4(7(12)13)6-9-2-1-3-11(6)10-5/h1-3H,(H2,8,10)(H,12,13)
InChI Key:	RGVPAUFBNKASEL-UHFFFAOYSA-N
LogP:	0.59090

Publication Number	Title	Priority Date
CN-112194659-A	Alkyne derivative and preparation method and application thereof	20190708
WO-2021004421-A1	Alkyne derivative, preparation method for same, and uses thereof	20190708
TW-202116774-A	Alkyne derivatives and preparation method and use thereof	20190708
WO-2020119592-A1	Novel three-ring fused structure compound, preparation method therefor and use thereof	20181212
CN-113195492-A	Novel compound with three-fused ring structure, preparation method and application thereof	20181212

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.04907545
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.04907545
Rotatable Bond Count:	1
Topological Polar Surface Area:	93.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1