Pyrazolo[1,5-a]pyrimidin-7(4H)-one - CAS 29274-23-5

Catalog:	BB020163
Product Name:	Pyrazolo[1,5-a]pyrimidin-7(4H)-one
CAS:	29274-23-5
Synonyms:	1H-pyrazolo[1,5-a]pyrimidin-7-one; 1H-pyrazolo[1,5-a]pyrimidin-7-one

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Computed Properties

IUPAC Name:	1H-pyrazolo[1,5-a]pyrimidin-7-one
Description:	Pyrazolo[1,5-a]pyrimidin-7(4H)-one (CAS# 29274-23-5) is a useful research chemical compound.
Molecular Weight:	135.12
Molecular Formula:	C6H5N3O
Canonical SMILES:	C1=CNN2C1=NC=CC2=O
InChI:	InChI=1S/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,8H
InChI Key:	BUEFDJQUUGMUJO-UHFFFAOYSA-N
Boiling Point:	297.644 °C at 760 mmHg
Density:	1.511 g/cm³
MDL:	MFCD09746272
LogP:	0.43490

Publication Number	Title	Priority Date
WO-2021108483-A1	Therapeutic compounds	20191127
WO-2021108408-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
CN-111212839-A	Pyrazolopyrimidinone compounds and uses thereof	20170915
KR-20200032751-A	Pyrazolopyrimidinone compounds and uses thereof	20170915
TW-201920185-A	Pyrazolopyrimidinone compound and use thereof	20170915

PMID	Publication Date	Title	Journal
23013484	20130201	Modulation of K(v)7 potassium channels by a novel opener pyrazolo[1,5-a]pyrimidin-7(4H)-one compound QO-58	British journal of pharmacology
21577044	20110101	Activation of KCNQ2/3 potassium channels by novel pyrazolo[1,5-a]pyrimidin-7(4H)-one derivatives	Pharmacology
19682898	20090915	Discovery of 4H-pyrazolo[1,5-a]pyrimidin-7-ones as potent inhibitors of hepatitis C virus polymerase	Bioorganic & medicinal chemistry letters

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.043261791
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.043261791
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4