2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H15N3O2 — CID 98073620

IUPAC2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)c(C)o1
InChIInChI=1S/C14H15N3O2/c1-7-5-11(10(4)19-7)12-6-13-15-9(3)8(2)14(18)17(13)16-12/h5-6,16H,1-4H3
InChIKeyQLLSVJBLQQONND-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.52
Rot. Bonds1

About 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98073620) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98073620
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)c(C)o1
InChIInChI=1S/C14H15N3O2/c1-7-5-11(10(4)19-7)12-6-13-15-9(3)8(2)14(18)17(13)16-12/h5-6,16H,1-4H3
InChIKeyQLLSVJBLQQONND-UHFFFAOYSA-N
XLogP2.52
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98073620) is 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QLLSVJBLQQONND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-7-5-11(10(4)19-7)12-6-13-15-9(3)8(2)14(18)17(13)16-12/h5-6,16H,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 257.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98073620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).