5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H13N3OS — CID 793395

IUPAC5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C13H13N3OS/c1-2-4-9-7-13(17)16-12(14-9)8-10(15-16)11-5-3-6-18-11/h3,5-8,15H,2,4H2,1H3
InChIKeyARDLOKBUXPQFFF-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.70
Rot. Bonds3

About 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 793395) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID793395
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cccs3)cc2n1
InChIInChI=1S/C13H13N3OS/c1-2-4-9-7-13(17)16-12(14-9)8-10(15-16)11-5-3-6-18-11/h3,5-8,15H,2,4H2,1H3
InChIKeyARDLOKBUXPQFFF-UHFFFAOYSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 793395) is 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3cccs3)cc2n1.
What is the InChIKey of 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ARDLOKBUXPQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-4-9-7-13(17)16-12(14-9)8-10(15-16)11-5-3-6-18-11/h3,5-8,15H,2,4H2,1H3.
What are the key properties of 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 259.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 793395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).