3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole

C9H10N2O2S2 — CID 769081

IUPAC3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C9H10N2O2S2/c1-7-6-8(2)11(10-7)15(12,13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyYJMXIBRIBPSSRV-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.80
Rot. Bonds2

About 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole

3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole (PubChem CID 769081) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole
PubChem CID769081
Molecular FormulaC9H10N2O2S2
Molecular Weight242.33 g/mol
Exact Mass242.02
IUPAC Name3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cccs2)n1
InChIInChI=1S/C9H10N2O2S2/c1-7-6-8(2)11(10-7)15(12,13)9-4-3-5-14-9/h3-6H,1-2H3
InChIKeyYJMXIBRIBPSSRV-UHFFFAOYSA-N
XLogP1.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole (CID 769081) is 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole is Cc1cc(C)n(S(=O)(=O)c2cccs2)n1.
What is the InChIKey of 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole?
The InChIKey is YJMXIBRIBPSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-7-6-8(2)11(10-7)15(12,13)9-4-3-5-14-9/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole?
3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole has a molecular weight of 242.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-thiophen-2-ylsulfonylpyrazole is sourced from PubChem (CID 769081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).