CAS 116008-52-7 | 1H-Pyrazole-3-carboxylic acid, 4-amino- | CAS Number 116008-52-7

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116008-52-7 | 1H-Pyrazole-3-carboxylic acid, 4-amino-

CAS No: 116008-52-7 Catalog No: AG000BCW MDL No:MFCD09263801

Product Description

Catalog Number:

AG000BCW

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 4-amino-

CAS Number:

116008-52-7

Molecular Formula:

C4H5N3O2

Molecular Weight:

127.1014

MDL Number:

MFCD09263801

IUPAC Name:

4-amino-1H-pyrazole-5-carboxylic acid

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

SMILES:

Nc1c[nH]nc1C(=O)O

Properties

Complexity:

127

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

127.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

127.103g/mol

Monoisotopic Mass:

127.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

Title	Journal
Rational design of β-sheet ligands against Aβ42-induced toxicity.	Journal of the American Chemical Society 20110330
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 20070101