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

C12H11N3O3 — CID 2819064

IUPAC2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(-c3ccco3)cc2n1
InChIInChI=1S/C12H11N3O3/c1-17-7-8-5-12(16)15-11(13-8)6-9(14-15)10-3-2-4-18-10/h2-6,14H,7H2,1H3
InChIKeyWXUOIGOULFUVJZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.43
Rot. Bonds3

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

2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2819064) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2819064
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(-c3ccco3)cc2n1
InChIInChI=1S/C12H11N3O3/c1-17-7-8-5-12(16)15-11(13-8)6-9(14-15)10-3-2-4-18-10/h2-6,14H,7H2,1H3
InChIKeyWXUOIGOULFUVJZ-UHFFFAOYSA-N
XLogP1.43
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2819064) is 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(-c3ccco3)cc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WXUOIGOULFUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-17-7-8-5-12(16)15-11(13-8)6-9(14-15)10-3-2-4-18-10/h2-6,14H,7H2,1H3.
What are the key properties of 2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.24 g/mol, XLogP of 1.43, 3 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-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2819064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).