2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H10F3N3O3 — CID 66857043

IUPAC2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2c(F)cc(F)cc2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H10F3N3O3/c18-9-4-11(19)17(12(20)5-9)26-8-10-6-16(24)23-15(21-10)7-13(22-23)14-2-1-3-25-14/h1-7,22H,8H2
InChIKeyLXYFVZJNMKODLL-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.28
Rot. Bonds4

About 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66857043) has the molecular formula C17H10F3N3O3 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66857043
Molecular FormulaC17H10F3N3O3
Molecular Weight361.28 g/mol
Exact Mass361.07
IUPAC Name2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2c(F)cc(F)cc2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H10F3N3O3/c18-9-4-11(19)17(12(20)5-9)26-8-10-6-16(24)23-15(21-10)7-13(22-23)14-2-1-3-25-14/h1-7,22H,8H2
InChIKeyLXYFVZJNMKODLL-UHFFFAOYSA-N
XLogP3.28
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.28
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 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66857043) is 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2c(F)cc(F)cc2F)nc2cc(-c3ccco3)[nH]n12.
What is the InChIKey of 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LXYFVZJNMKODLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O3/c18-9-4-11(19)17(12(20)5-9)26-8-10-6-16(24)23-15(21-10)7-13(22-23)14-2-1-3-25-14/h1-7,22H,8H2.
What are the key properties of 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 361.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[(2,4,6-trifluorophenoxy)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66857043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).