5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H11F2N3O3 — CID 66856588

IUPAC5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2c(F)cccc2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O3/c18-11-3-1-4-12(19)17(11)25-9-10-7-16(23)22-15(20-10)8-13(21-22)14-5-2-6-24-14/h1-8,21H,9H2
InChIKeySDORADDLWUVFCF-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.14
Rot. Bonds4

About 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66856588) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66856588
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2c(F)cccc2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O3/c18-11-3-1-4-12(19)17(11)25-9-10-7-16(23)22-15(20-10)8-13(21-22)14-5-2-6-24-14/h1-8,21H,9H2
InChIKeySDORADDLWUVFCF-UHFFFAOYSA-N
XLogP3.14
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953463
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(3-methylfuran-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953816
6-Butyl-2-(2-furyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2818843
2-(2-Furyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 342597
6-cyclohexyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813286
2-(2-Furyl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2819064
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164622252
2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164625578
5-[(4-Fluorophenyl)methyl]-11-(furan-2-yl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 44454855
2-(2-Furyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-ol
CID 804441
2-(2-Furyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819055
6-Cyclohexyl-5-furan-2-yl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
CID 15958260

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66856588) is 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2c(F)cccc2F)nc2cc(-c3ccco3)[nH]n12.
What is the InChIKey of 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SDORADDLWUVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c18-11-3-1-4-12(19)17(11)25-9-10-7-16(23)22-15(20-10)8-13(21-22)14-5-2-6-24-14/h1-8,21H,9H2.
What are the key properties of 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66856588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).