2-(4-Amino-1-pyrazolyl)acetonitrile - CAS 1152842-04-0

Catalog:	BB003539
Product Name:	2-(4-Amino-1-pyrazolyl)acetonitrile
CAS:	1152842-04-0
Synonyms:	2-(4-amino-1-pyrazolyl)acetonitrile; 2-(4-aminopyrazol-1-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-aminopyrazol-1-yl)acetonitrile
Description:	2-(4-Amino-1-pyrazolyl)acetonitrile (CAS# 1152842-04-0 ) is a useful research chemical.
Molecular Weight:	122.13
Molecular Formula:	C5H6N4
Canonical SMILES:	C1=C(C=NN1CC#N)N
InChI:	InChI=1S/C5H6N4/c6-1-2-9-4-5(7)3-8-9/h3-4H,2,7H2
InChI Key:	XMHXCZMZXXAHRY-UHFFFAOYSA-N
LogP:	0.57008

Publication Number	Title	Priority Date
CN-112142743-A	Heterocyclic compound, preparation method and application thereof in medicine and pharmacology	20190628
WO-2020259584-A1	Heterocyclic compounds for mediating tyrosine kinase 2 activity	20190628
WO-2020119819-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
TW-202039474-A	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214
CN-113227074-A	Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods	20181214

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Related Functional Groups

Nitrogen Compounds

[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.059246208
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.059246208
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6