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1-(4-Fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

1-(4-Fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one - CAS 289651-72-5

Catalog:	BB047405
Product Name:	1-(4-Fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CAS:	289651-72-5
Synonyms:	1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol; 1-(4-Fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(4-fluorophenyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
Description:	1-(4-Fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS# 289651-72-5 ) is a useful research chemical.
Molecular Weight:	230.20
Molecular Formula:	C11H7FN4O
Canonical SMILES:	C1=CC(=CC=C1N2C3=C(C=N2)C(=O)NC=N3)F
InChI:	InChI=1S/C11H7FN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChI Key:	BQCBGAAIDUOCJL-UHFFFAOYSA-N

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate

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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Pyrazolo[n,m-d]Pyrimidine

[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
[335223-43-3]
Ethyl 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate
[1697188-73-0]
Ethyl 5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
[938001-08-2]
Ethyl 7-(difluoromethyl)-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylate
[1224944-46-0]
5-Oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
[393845-35-7]
Ethyl 1-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate

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:	340
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.06038902
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.06038902
Rotatable Bond Count:	1
Topological Polar Surface Area:	59.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5