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5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile - CAS 845895-95-6

Catalog:	BB037260
Product Name:	5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS:	845895-95-6
Synonyms:	5,7-dichloro-3-pyrazolo[1,5-a]pyrimidinecarbonitrile; 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Description:	5,7-Dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS# 845895-95-6) is a useful research chemical compound.
Molecular Weight:	213.02
Molecular Formula:	C7H2Cl2N4
Canonical SMILES:	C1=C(N2C(=C(C=N2)C#N)N=C1Cl)Cl
InChI:	InChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H
InChI Key:	KDFQVEDUSUYBCO-UHFFFAOYSA-N
MDL:	MFCD17392854
LogP:	1.90778

Publication Number	Title	Priority Date
WO-2020186196-A1	Trisubstituted pyrazolo [1,5-a] pyrimidine compounds as cdk7 inhibitors	20190313
US-2020131201-A1	Tyk2 inhibitors and uses thereof	20181015
US-10562906-B2	TYK2 inhibitors and uses thereof	20170728
US-10562907-B2	TYK2 inhibitors and uses thereof	20170728
US-10577373-B2	TYK2 inhibitors and uses thereof	20170728

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.9656515
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.9656515
Rotatable Bond Count:	0
Topological Polar Surface Area:	54
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2