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

C7H7N3OS — CID 58375407

IUPAC5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C7H7N3OS/c1-12-6-4-7(11)10-5(9-6)2-3-8-10/h2-4,8H,1H3
InChIKeyFPLRFESGALBKTR-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.74
Rot. Bonds1

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

5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58375407) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58375407
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCSc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C7H7N3OS/c1-12-6-4-7(11)10-5(9-6)2-3-8-10/h2-4,8H,1H3
InChIKeyFPLRFESGALBKTR-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 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58375407) is 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CSc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FPLRFESGALBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-12-6-4-7(11)10-5(9-6)2-3-8-10/h2-4,8H,1H3.
What are the key properties of 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-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 5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58375407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).