1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole

C12H12N2O2S — CID 11776779

IUPAC1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole
SMILESCn1ccc2c(S(C)(=O)=O)c3ccccc3n21
InChIInChI=1S/C12H12N2O2S/c1-13-8-7-11-12(17(2,15)16)9-5-3-4-6-10(9)14(11)13/h3-8H,1-2H3
InChIKeyCBBKMLCQPMSMJI-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.83
Rot. Bonds1

About 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole

1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole (PubChem CID 11776779) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole.

Molecular Properties

Compound Name1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole
PubChem CID11776779
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole
SMILESCn1ccc2c(S(C)(=O)=O)c3ccccc3n21
InChIInChI=1S/C12H12N2O2S/c1-13-8-7-11-12(17(2,15)16)9-5-3-4-6-10(9)14(11)13/h3-8H,1-2H3
InChIKeyCBBKMLCQPMSMJI-UHFFFAOYSA-N
XLogP1.83
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(methylsulfonyl)phenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 45487442
1-Methyl-1h-pyrazolo[1,5-a]indole
CID 10035029
4-Methanesulfonyl-1-methyl-2-phenyl-1h-pyrazolo[1,5-a]indole
CID 10041936
1-Methyl-3-methylsulfonylindole
CID 90922062
4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
CID 99844417
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2-dimethylindole-3-sulfonamide
CID 128313119
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylindole-7-sulfonamide
CID 138014522
2-(2-Fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 10133491
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
CID 24743525
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743559
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
CID 24743728

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole?
The IUPAC name of 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole (CID 11776779) is 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole.
What is the SMILES notation for 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole?
The canonical SMILES for 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole is Cn1ccc2c(S(C)(=O)=O)c3ccccc3n21.
What is the InChIKey of 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole?
The InChIKey is CBBKMLCQPMSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-13-8-7-11-12(17(2,15)16)9-5-3-4-6-10(9)14(11)13/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole?
1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole has a molecular weight of 248.31 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonylpyrazolo[1,5-a]indole is sourced from PubChem (CID 11776779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).