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

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Related Compounds

5,7-Bis(trifluoromethyl)-2-(methylthio)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2736163
1-[5,7-Dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 10060021
Pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride, 2-methylsulfanyl-5,7-bis(trifluoromethyl)-
CID 629992
1-(2,5,7-Trimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethan-1-one
CID 12250542
N,N-dimethyl-2-methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4530213
2-Methylsulfanyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6976629
1-[2-(Ethylsulfanyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 7693304
Pyrazolo[5,1-b]quinazolin-8(7H)-one, 5,6-dihydro-2,6,6-trimethyl-9-methylthio-
CID 618084
1-(2,5,6,7-Tetramethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 21341314
2-Ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 155738758
1-(2-(Isopentylthio)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 8072274
1-[5,7-Dimethyl-2-(propylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 8073216

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).