2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one

C11H17N3OS — CID 166650226

IUPAC2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one
SMILESCSc1n[nH]c2c1CCN(C(=O)C(C)C)C2
InChIInChI=1S/C11H17N3OS/c1-7(2)11(15)14-5-4-8-9(6-14)12-13-10(8)16-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeySKRFTECULNKVSC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.67
Rot. Bonds2

About 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one

2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one (PubChem CID 166650226) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one
PubChem CID166650226
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one
SMILESCSc1n[nH]c2c1CCN(C(=O)C(C)C)C2
InChIInChI=1S/C11H17N3OS/c1-7(2)11(15)14-5-4-8-9(6-14)12-13-10(8)16-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeySKRFTECULNKVSC-UHFFFAOYSA-N
XLogP1.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one (CID 166650226) is 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one is CSc1n[nH]c2c1CCN(C(=O)C(C)C)C2.
What is the InChIKey of 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one?
The InChIKey is SKRFTECULNKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)11(15)14-5-4-8-9(6-14)12-13-10(8)16-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one?
2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)propan-1-one is sourced from PubChem (CID 166650226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).