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

C7H7N3OS — CID 140999303

IUPAC2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C7H7N3OS/c1-12-6-4-5-8-3-2-7(11)10(5)9-6/h2-4,9H,1H3
InChIKeyUQSXNSCGHMXOON-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.74
Rot. Bonds1

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

2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 140999303) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID140999303
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc2nccc(=O)n2[nH]1
InChIInChI=1S/C7H7N3OS/c1-12-6-4-5-8-3-2-7(11)10(5)9-6/h2-4,9H,1H3
InChIKeyUQSXNSCGHMXOON-UHFFFAOYSA-N
XLogP0.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 140999303) is 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1cc2nccc(=O)n2[nH]1.
What is the InChIKey of 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UQSXNSCGHMXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-12-6-4-5-8-3-2-7(11)10(5)9-6/h2-4,9H,1H3.
What are the key properties of 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 181.22 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 140999303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).