1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C11H19N3O2S — CID 118489303

IUPAC1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)c1nn(C)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C11H19N3O2S/c1-8(2)11-9-5-6-14(17(4,15)16)7-10(9)13(3)12-11/h8H,5-7H2,1-4H3
InChIKeyVYXQQKKMKFGLGR-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.86
Rot. Bonds2

About 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 118489303) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID118489303
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)c1nn(C)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C11H19N3O2S/c1-8(2)11-9-5-6-14(17(4,15)16)7-10(9)13(3)12-11/h8H,5-7H2,1-4H3
InChIKeyVYXQQKKMKFGLGR-UHFFFAOYSA-N
XLogP0.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 118489303) is 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CC(C)c1nn(C)c2c1CCN(S(C)(=O)=O)C2.
What is the InChIKey of 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is VYXQQKKMKFGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)11-9-5-6-14(17(4,15)16)7-10(9)13(3)12-11/h8H,5-7H2,1-4H3.
What are the key properties of 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 257.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylsulfonyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 118489303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).