1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

C9H13N3OS — CID 134224694

IUPAC1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCSc1n[nH]c2c1CCN(C(C)=O)C2
InChIInChI=1S/C9H13N3OS/c1-6(13)12-4-3-7-8(5-12)10-11-9(7)14-2/h3-5H2,1-2H3,(H,10,11)
InChIKeyKNZUOZNHYNUNEA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.04
Rot. Bonds1

About 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (PubChem CID 134224694) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
PubChem CID134224694
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCSc1n[nH]c2c1CCN(C(C)=O)C2
InChIInChI=1S/C9H13N3OS/c1-6(13)12-4-3-7-8(5-12)10-11-9(7)14-2/h3-5H2,1-2H3,(H,10,11)
InChIKeyKNZUOZNHYNUNEA-UHFFFAOYSA-N
XLogP1.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-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

Related Compounds

1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
3,3,3-Trifluoro-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 118491662
3-Methylsulfanyl-6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine
CID 130378115
3,3,3-Trifluoro-1-(3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 134224717
3,3,3-Trifluoro-1-[3-(1-methyldithiiran-1-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 134224718
1-(3-Fluoro-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 166919318
3-methylsulfanyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 83871802
1-(3-Methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 117607494
1-(3-Iodo-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one
CID 117614512
2-Methyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 117684395
1-(3-Methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
CID 118491632
3-Methyl-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)butan-1-one
CID 118491701

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (CID 134224694) is 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is CSc1n[nH]c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The InChIKey is KNZUOZNHYNUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6(13)12-4-3-7-8(5-12)10-11-9(7)14-2/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 134224694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).