4-Aminopyrazole-5-carbonitrile - CAS 68703-67-3

Catalog:	BB033613
Product Name:	4-Aminopyrazole-5-carbonitrile
CAS:	68703-67-3
Synonyms:	4-amino-1H-pyrazole-5-carbonitrile; 4-amino-1H-pyrazole-5-carbonitrile

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Computed Properties

IUPAC Name:	4-amino-1H-pyrazole-5-carbonitrile
Description:	4-Aminopyrazole-5-carbonitrile (CAS# 68703-67-3) is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C4H4N4
Canonical SMILES:	C1=NNC(=C1N)C#N
InChI:	InChI=1S/C4H4N4/c5-1-4-3(6)2-7-8-4/h2H,6H2,(H,7,8)
InChI Key:	PKRKJRIVVOGXHM-UHFFFAOYSA-N
LogP:	0.44478

Publication Number	Title	Priority Date
WO-2020239999-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
US-2021300918-A1	SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE	20190531
WO-2020144638-A1	Dihydroorotate dehydrogenase inhibitors	20190111
TW-202043208-A	Dihydroorotate dehydrogenase inhibitors	20190111
KR-20210114968-A	dihydroorotate dehydrogenase inhibitor	20190111

PMID	Publication Date	Title	Journal
19345637	20090801	A simplified green chemistry approaches to synthesis of 2-substituted 1,2,3-triazoles and 4-amino-5-cyanopyrazole derivatives conventional heating versus microwave and ultrasound as ecofriendly energy sources	Ultrasonics sonochemistry

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Related Functional Groups

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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

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Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.043596145
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	108.043596145
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1