5-(4-methylphenyl)sulfonyl-1H-pyrazole

C10H10N2O2S — CID 67152748

IUPAC5-(4-methylphenyl)sulfonyl-1H-pyrazole
SMILESCc1ccc(S(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C10H10N2O2S/c1-8-2-4-9(5-3-8)15(13,14)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKeyNQMWPKKWSMODQW-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.55
Rot. Bonds2

About 5-(4-methylphenyl)sulfonyl-1H-pyrazole

5-(4-methylphenyl)sulfonyl-1H-pyrazole (PubChem CID 67152748) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-1H-pyrazole
PubChem CID67152748
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(4-methylphenyl)sulfonyl-1H-pyrazole
SMILESCc1ccc(S(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C10H10N2O2S/c1-8-2-4-9(5-3-8)15(13,14)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKeyNQMWPKKWSMODQW-UHFFFAOYSA-N
XLogP1.55
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-1H-pyrazole?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-1H-pyrazole (CID 67152748) is 5-(4-methylphenyl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-1H-pyrazole?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-1H-pyrazole is Cc1ccc(S(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-1H-pyrazole?
The InChIKey is NQMWPKKWSMODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-8-2-4-9(5-3-8)15(13,14)10-6-7-11-12-10/h2-7H,1H3,(H,11,12).
What are the key properties of 5-(4-methylphenyl)sulfonyl-1H-pyrazole?
5-(4-methylphenyl)sulfonyl-1H-pyrazole has a molecular weight of 222.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 67152748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).