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

C17H13N3O2 — CID 164622252

IUPAC3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccco3)c2n1
InChIInChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(13-8-5-9-22-13)16(19-20)12-6-3-2-4-7-12/h2-10,19H,1H3
InChIKeyFVGSMKQCHHJKIS-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds2

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

3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164622252) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164622252
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccco3)c2n1
InChIInChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(13-8-5-9-22-13)16(19-20)12-6-3-2-4-7-12/h2-10,19H,1H3
InChIKeyFVGSMKQCHHJKIS-UHFFFAOYSA-N
XLogP3.26
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164622252) is 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccccc3)c(-c3ccco3)c2n1.
What is the InChIKey of 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FVGSMKQCHHJKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(13-8-5-9-22-13)16(19-20)12-6-3-2-4-7-12/h2-10,19H,1H3.
What are the key properties of 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 291.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164622252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).