1-(4-methylsulfonylphenyl)pyrazole

C10H10N2O2S — CID 21478015

IUPAC1-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)10-5-3-9(4-6-10)12-8-2-7-11-12/h2-8H,1H3
InChIKeyWYNYNPQSJKVZHK-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.28
Rot. Bonds2

About 1-(4-methylsulfonylphenyl)pyrazole

1-(4-methylsulfonylphenyl)pyrazole (PubChem CID 21478015) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)pyrazole
PubChem CID21478015
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name1-(4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H10N2O2S/c1-15(13,14)10-5-3-9(4-6-10)12-8-2-7-11-12/h2-8H,1H3
InChIKeyWYNYNPQSJKVZHK-UHFFFAOYSA-N
XLogP1.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 1-(4-methylsulfonylphenyl)pyrazole (CID 21478015) is 1-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 1-(4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is WYNYNPQSJKVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-15(13,14)10-5-3-9(4-6-10)12-8-2-7-11-12/h2-8H,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)pyrazole?
1-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 222.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 21478015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).