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

C12H11N3O2 — CID 804441

IUPAC2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H11N3O2/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3
InChIKeyAPVVJJQSWCGJHB-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.90
Rot. Bonds1

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

2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 804441) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID804441
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C12H11N3O2/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3
InChIKeyAPVVJJQSWCGJHB-UHFFFAOYSA-N
XLogP1.90
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 804441) is 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3ccco3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is APVVJJQSWCGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-8(2)13-11-6-9(10-4-3-5-17-10)14-15(11)12(7)16/h3-6,14H,1-2H3.
What are the key properties of 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 229.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 804441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).