4-Nitro-1H-pyrazole-1-acetonitrile - CAS 1001500-47-5

Catalog:	BB000106
Product Name:	4-Nitro-1H-pyrazole-1-acetonitrile
CAS:	1001500-47-5
Synonyms:	2-(4-nitro-1-pyrazolyl)acetonitrile; 2-(4-nitropyrazol-1-yl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-nitropyrazol-1-yl)acetonitrile
Description:	4-Nitro-1H-pyrazole-1-acetonitrile (CAS# 1001500-47-5 ) is a useful research chemical.
Molecular Weight:	152.11
Molecular Formula:	C5H4N4O2
Canonical SMILES:	C1=C(C=NN1CC#N)[N+](=O)[O-]
InChI:	InChI=1S/C5H4N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,2H2
InChI Key:	LFQFUHCPOAKRLD-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C

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
EP-3877381-A1	Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20181214

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.03342538
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.03342538
Rotatable Bond Count:	1
Topological Polar Surface Area:	87.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1