2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C8H9N3OS — CID 22468373

IUPAC2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C8H9N3OS/c1-2-13-7-5-6-9-4-3-8(12)11(6)10-7/h3-5,10H,2H2,1H3
InChIKeyWUWRDDCPBRAJEH-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.13
Rot. Bonds2

About 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22468373) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22468373
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCSc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C8H9N3OS/c1-2-13-7-5-6-9-4-3-8(12)11(6)10-7/h3-5,10H,2H2,1H3
InChIKeyWUWRDDCPBRAJEH-UHFFFAOYSA-N
XLogP1.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22468373) is 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCSc1cc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WUWRDDCPBRAJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-2-13-7-5-6-9-4-3-8(12)11(6)10-7/h3-5,10H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 195.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22468373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).