1-Methylpyrazole-4-carbonitrile - CAS 66121-71-9

Catalog:	BB032919
Product Name:	1-Methylpyrazole-4-carbonitrile
CAS:	66121-71-9
Synonyms:	1-methyl-4-pyrazolecarbonitrile; 1-methylpyrazole-4-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-methylpyrazole-4-carbonitrile
Description:	1-Methylpyrazole-4-carbonitrile (CAS# 66121-71-9) is a useful research chemical.
Molecular Weight:	107.11
Molecular Formula:	C5H5N3
Canonical SMILES:	CN1C=C(C=N1)C#N
InChI:	InChI=1S/C5H5N3/c1-8-4-5(2-6)3-7-8/h3-4H,1H3
InChI Key:	NIBQNKBEGIMBSV-UHFFFAOYSA-N
Boiling Point:	230.218 °C at 760 mmHg
Density:	1.121 g/cm³
MDL:	MFCD04969704
LogP:	0.29178

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
CN-108707113-A	A kind of synthetic method of N- alkyl-cyano pyrazole	20180628
US-10292391-B2	Pesticidally active 1,2,4-triazole derivatives with sulphur containing substituents	20150724
US-2018213781-A1	Pesticidally active 1,2,4-triazole derivatives with sulphur containing substituents	20150724
CN-105848723-B	Serine/threonine kinase inhibitor	20131230

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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
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	107.048347172
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	107.048347172
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0