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

C17H13N3O2 — CID 164625578

IUPAC2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccco3)c(-c3ccccc3)c2n1
InChIInChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(12-6-3-2-4-7-12)16(19-20)13-8-5-9-22-13/h2-10,19H,1H3
InChIKeyPKIBHWTXKJFKAU-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds2

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

2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164625578) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164625578
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccco3)c(-c3ccccc3)c2n1
InChIInChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(12-6-3-2-4-7-12)16(19-20)13-8-5-9-22-13/h2-10,19H,1H3
InChIKeyPKIBHWTXKJFKAU-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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Related Compounds

6-benzyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813284
2-(2-furyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1266395
N-benzylsulfonyl-6-cyclohexyl-5-(2-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 9956826
6-cyclohexyl-5-(2-furyl)-7-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15958252
5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(3-methylfuran-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 24953816
5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454792
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
2-(2,5-dimethylfuran-3-yl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 44522301
(5E)-5-(2-furylmethylene)-2-phenyl-3,5-dihydro-4H-imidazol-4-one
CID 135473041
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

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164625578) is 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccco3)c(-c3ccccc3)c2n1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PKIBHWTXKJFKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-11-10-14(21)20-17(18-11)15(12-6-3-2-4-7-12)16(19-20)13-8-5-9-22-13/h2-10,19H,1H3.
What are the key properties of 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-methyl-3-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 2-(furan-2-yl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164625578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).