5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

C13H13N3OS — CID 11841206

IUPAC5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(Cc3cccs3)c2n1
InChIInChI=1S/C13H13N3OS/c1-8-6-9(2)16-12(14-8)11(13(17)15-16)7-10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyCJTYGRAGKGOLJG-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.29
Rot. Bonds2

About 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 11841206) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID11841206
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(Cc3cccs3)c2n1
InChIInChI=1S/C13H13N3OS/c1-8-6-9(2)16-12(14-8)11(13(17)15-16)7-10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyCJTYGRAGKGOLJG-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 11841206) is 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(C)n2[nH]c(=O)c(Cc3cccs3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is CJTYGRAGKGOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-6-9(2)16-12(14-8)11(13(17)15-16)7-10-4-3-5-18-10/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 259.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(thiophen-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 11841206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).