3-methyl-1-(4-methylphenyl)sulfonylpyrazole

C11H12N2O2S — CID 785585

IUPAC3-methyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-10(2)12-13/h3-8H,1-2H3
InChIKeyFWOGFQSSKDRBID-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds2

About 3-methyl-1-(4-methylphenyl)sulfonylpyrazole

3-methyl-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 785585) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID785585
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-methyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-10(2)12-13/h3-8H,1-2H3
InChIKeyFWOGFQSSKDRBID-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 3-methyl-1-(4-methylphenyl)sulfonylpyrazole (CID 785585) is 3-methyl-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)sulfonylpyrazole is Cc1ccc(S(=O)(=O)n2ccc(C)n2)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is FWOGFQSSKDRBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-10(2)12-13/h3-8H,1-2H3.
What are the key properties of 3-methyl-1-(4-methylphenyl)sulfonylpyrazole?
3-methyl-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 236.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 785585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).