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

C17H11F2N3O3 — CID 66856478

IUPAC5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O3/c18-11-3-1-4-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-5-2-6-24-13/h1-8,21H,9H2
InChIKeyVRPYPNIVDYDPCD-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.14
Rot. Bonds4

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

5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66856478) has the molecular formula C17H11F2N3O3 and a molecular weight of 343.29 g/mol. Its IUPAC name is 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66856478
Molecular FormulaC17H11F2N3O3
Molecular Weight343.29 g/mol
Exact Mass343.08
IUPAC Name5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12
InChIInChI=1S/C17H11F2N3O3/c18-11-3-1-4-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-5-2-6-24-13/h1-8,21H,9H2
InChIKeyVRPYPNIVDYDPCD-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66856478) is 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(COc2cccc(F)c2F)nc2cc(-c3ccco3)[nH]n12.
What is the InChIKey of 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VRPYPNIVDYDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O3/c18-11-3-1-4-14(17(11)19)25-9-10-7-16(23)22-15(20-10)8-12(21-22)13-5-2-6-24-13/h1-8,21H,9H2.
What are the key properties of 5-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,3-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-[(2,3-difluorophenoxy)methyl]-2-(furan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66856478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).