4-Bromo-1-methylpyrazole-3-carbonitrile - CAS 287922-71-8

Catalog:	BB019950
Product Name:	4-Bromo-1-methylpyrazole-3-carbonitrile
CAS:	287922-71-8
Synonyms:	4-bromo-1-methyl-3-pyrazolecarbonitrile; 4-bromo-1-methylpyrazole-3-carbonitrile

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-bromo-1-methylpyrazole-3-carbonitrile
Description:	4-Bromo-1-methylpyrazole-3-carbonitrile (CAS# 287922-71-8) is a useful research chemical.
Molecular Weight:	186.01
Molecular Formula:	C5H4BrN3
Canonical SMILES:	CN1C=C(C(=N1)C#N)Br
InChI:	InChI=1S/C5H4BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3
InChI Key:	NTTLCOOFUGHMJS-UHFFFAOYSA-N
Appearance:	Brown powder
MDL:	MFCD00103545
LogP:	1.05428

Publication Number	Title	Priority Date
WO-2021026672-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809
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KR-20210079318-A	H4 antagonist compounds	20181019
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WO-2019119206-A1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20171218

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.95886
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1