1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C11H13N3OS — CID 2819567

IUPAC1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCSc1nc2cc(C)nn2c(C)c1C(C)=O
InChIInChI=1S/C11H13N3OS/c1-6-5-9-12-11(16-4)10(8(3)15)7(2)14(9)13-6/h5H,1-4H3
InChIKeySLYXKHWBLPCWKH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.27
Rot. Bonds2

About 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 2819567) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID2819567
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCSc1nc2cc(C)nn2c(C)c1C(C)=O
InChIInChI=1S/C11H13N3OS/c1-6-5-9-12-11(16-4)10(8(3)15)7(2)14(9)13-6/h5H,1-4H3
InChIKeySLYXKHWBLPCWKH-UHFFFAOYSA-N
XLogP2.27
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 2819567) is 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CSc1nc2cc(C)nn2c(C)c1C(C)=O.
What is the InChIKey of 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is SLYXKHWBLPCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-5-9-12-11(16-4)10(8(3)15)7(2)14(9)13-6/h5H,1-4H3.
What are the key properties of 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 235.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 2819567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).