5-Amino-1H-Pyrazole-4-Carbonitrile;Hydrochloride manufacturers and suppliers on PharmaCompass

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Also known as: Schembl4850505, 3-aminopyrazole-4-carbonitrile hydrochloride
Molecular Formula
C4H5ClN4
Molecular Weight
144.56  g/mol
InChI Key
ZBBUUZBCGCQPBJ-UHFFFAOYSA-N

5-Amino-1H-Pyrazole-4-Carbonitrile;Hydrochloride
1 2D Structure

5-Amino-1H-Pyrazole-4-Carbonitrile;Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1H-pyrazole-4-carbonitrile;hydrochloride
2.1.2 InChI
InChI=1S/C4H4N4.ClH/c5-1-3-2-7-8-4(3)6;/h2H,(H3,6,7,8);1H
2.1.3 InChI Key
ZBBUUZBCGCQPBJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NNC(=C1C#N)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl4850505

2. 3-aminopyrazole-4-carbonitrile Hydrochloride

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 144.56 g/mol
Molecular Formula C4H5ClN4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass144.0202739 g/mol
Monoisotopic Mass144.0202739 g/mol
Topological Polar Surface Area78.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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