2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile - CAS 754159-15-4

Catalog:	BB035319
Product Name:	2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile
CAS:	754159-15-4
Synonyms:	2-(1-methyl-4-pyrazolyl)acetonitrile; 2-(1-methylpyrazol-4-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(1-methylpyrazol-4-yl)acetonitrile
Description:	2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile (CAS# 754159-15-4) is a useful research chemical.
Molecular Weight:	121.14
Molecular Formula:	C6H7N3
Canonical SMILES:	CN1C=C(C=N1)CC#N
InChI:	InChI=1S/C6H7N3/c1-9-5-6(2-3-7)4-8-9/h4-5H,2H2,1H3
InChI Key:	OZAQPNNARZFABP-UHFFFAOYSA-N
MDL:	MFCD09924148
LogP:	0.48618

Publication Number	Title	Priority Date
WO-2021134004-A1	Cyclic compounds and methods of using same	20191227
EP-3732210-A1	Composition including multiple terminally functionalized polymers	20171230
US-2020369791-A1	Composition Including Multiple Terminally Functionalized Polymers	20171230
EP-3458488-A1	Process for producing functionalized polymers	20160519
US-2019185598-A1	Process For Producing Functionalized Polymers	20160519

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Related Functional Groups

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[1170836-25-5]
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[618-40-6]
1-Methyl-1-phenylhydrazine
[514801-07-1]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.063997236
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1