1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole

C18H16N2O2S — CID 10041936

IUPAC1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole
SMILESCn1c(-c2ccccc2)cc2c(S(C)(=O)=O)c3ccccc3n21
InChIInChI=1S/C18H16N2O2S/c1-19-16(13-8-4-3-5-9-13)12-17-18(23(2,21)22)14-10-6-7-11-15(14)20(17)19/h3-12H,1-2H3
InChIKeyXXNYAXAZIJFLRM-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.50
Rot. Bonds2

About 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole

1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole (PubChem CID 10041936) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole.

Molecular Properties

Compound Name1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole
PubChem CID10041936
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole
SMILESCn1c(-c2ccccc2)cc2c(S(C)(=O)=O)c3ccccc3n21
InChIInChI=1S/C18H16N2O2S/c1-19-16(13-8-4-3-5-9-13)12-17-18(23(2,21)22)14-10-6-7-11-15(14)20(17)19/h3-12H,1-2H3
InChIKeyXXNYAXAZIJFLRM-UHFFFAOYSA-N
XLogP3.50
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole?
The IUPAC name of 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole (CID 10041936) is 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole.
What is the SMILES notation for 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole?
The canonical SMILES for 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole is Cn1c(-c2ccccc2)cc2c(S(C)(=O)=O)c3ccccc3n21.
What is the InChIKey of 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole?
The InChIKey is XXNYAXAZIJFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-19-16(13-8-4-3-5-9-13)12-17-18(23(2,21)22)14-10-6-7-11-15(14)20(17)19/h3-12H,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole?
1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole has a molecular weight of 324.41 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonyl-2-phenylpyrazolo[1,5-a]indole is sourced from PubChem (CID 10041936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).