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5-Amino-3-(methylthio)-4-pyrazolecarboxamide

5-Amino-3-(methylthio)-4-pyrazolecarboxamide - CAS 90914-35-5

Catalog:	BB039987
Product Name:	5-Amino-3-(methylthio)-4-pyrazolecarboxamide
CAS:	90914-35-5
Synonyms:	5-amino-3-(methylthio)-1H-pyrazole-4-carboxamide; 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxamide

Technical Data

Patents

Computed Properties

IUPAC Name:	5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxamide
Description:	5-Amino-3-(methylthio)-4-pyrazolecarboxamide (CAS# 90914-35-5) is a useful research chemical.
Molecular Weight:	172.21
Molecular Formula:	C5H8N4OS
Canonical SMILES:	CSC1=NNC(=C1C(=O)N)N
InChI:	InChI=1S/C5H8N4OS/c1-11-5-2(4(7)10)3(6)8-9-5/h1H3,(H2,7,10)(H3,6,8,9)
InChI Key:	MBHLPIXKNRKHEE-UHFFFAOYSA-N
LogP:	1.09420

Publication Number	Title	Priority Date
AU-2013295906-A1	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727
AU-2013295906-B2	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727
CA-2880251-A1	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727
CA-2880251-C	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727
EP-2877472-A1	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.04188206
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	172.04188206
Rotatable Bond Count:	2
Topological Polar Surface Area:	123
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1