1,5-Dimethyl-1H-pyrazole-3-carbonitrile - CAS 54384-71-3

Catalog:	BB028632
Product Name:	1,5-Dimethyl-1H-pyrazole-3-carbonitrile
CAS:	54384-71-3
Synonyms:	1,5-dimethyl-3-pyrazolecarbonitrile; 1,5-dimethylpyrazole-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1,5-dimethylpyrazole-3-carbonitrile
Description:	1,5-Dimethyl-1H-pyrazole-3-carbonitrile (CAS# 54384-71-3 ) is a useful research chemical.
Molecular Weight:	121.14
Molecular Formula:	C6H7N3
Canonical SMILES:	CC1=CC(=NN1C)C#N
InChI:	InChI=1S/C6H7N3/c1-5-3-6(4-7)8-9(5)2/h3H,1-2H3
InChI Key:	QJTFMFKUXJQSAO-UHFFFAOYSA-N
LogP:	0.60018

Publication Number	Title	Priority Date
WO-2019149260-A1	Pyridazinol compound, derivative thereof, preparation method therefor, herbicidal composition and use thereof	20180202
KR-20180097162-A	Pyrolo-pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating protein kinase related disease as an active ingredient	20170222
KR-20180132575-A	Pyrolo-pyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating protein kinase related disease as an active ingredient	20170222
US-2011237576-A1	2-aminopyrimidin-4-one and 2-aminopyridine derivatives both having bace1-inhibiting activity	20081022
AU-2006232188-A1	Pyrazolopyridines and analogs thereof	20050401

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	146
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:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7