5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H11F2N3O2S — CID 24953463

IUPAC5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,21H,9H2
InChIKeyJLDOERPTQCCMNS-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.85
Rot. Bonds4

About 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 24953463) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID24953463
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC Name5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,21H,9H2
InChIKeyJLDOERPTQCCMNS-UHFFFAOYSA-N
XLogP3.85
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(3-methylfuran-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953816
2-(2-Furyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 342597
2-(2-Furyl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-7-one
CID 2819064
11-(Furan-2-yl)-5-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 2818965
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953817
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2,5-dimethylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954153
2-(5-bromofuran-2-yl)-5-[(2,3-difluorophenyl)sulfanylmethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954519
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24954520
5-[2-(2,3-difluorophenyl)ethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 44186785
5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66856478
5-(2,6-Difluoro-phenoxymethyl)-2-furan-2-yl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 66856588
2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66857043

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 24953463) is 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CSc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12.
What is the InChIKey of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JLDOERPTQCCMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c18-11-3-1-5-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-4-2-6-24-13/h1-8,21H,9H2.
What are the key properties of 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 359.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 24953463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).