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

Technical Data

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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

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

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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