7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C8H13N3O2S — CID 155163358

IUPAC7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC1c2[nH]ncc2CCN1S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-6-8-7(5-9-10-8)3-4-11(6)14(2,12)13/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyULFZAMIJPOZNBX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.29
Rot. Bonds1

About 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 155163358) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID155163358
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCC1c2[nH]ncc2CCN1S(C)(=O)=O
InChIInChI=1S/C8H13N3O2S/c1-6-8-7(5-9-10-8)3-4-11(6)14(2,12)13/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyULFZAMIJPOZNBX-UHFFFAOYSA-N
XLogP0.29
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 155163358) is 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is CC1c2[nH]ncc2CCN1S(C)(=O)=O.
What is the InChIKey of 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is ULFZAMIJPOZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-8-7(5-9-10-8)3-4-11(6)14(2,12)13/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 215.28 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 155163358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).