3-ethyl-1-methylsulfonylpyrazole

C6H10N2O2S — CID 175072863

IUPAC3-ethyl-1-methylsulfonylpyrazole
SMILESCCc1ccn(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S/c1-3-6-4-5-8(7-6)11(2,9)10/h4-5H,3H2,1-2H3
InChIKeyYBDBUGAFGZVWFO-UHFFFAOYSA-N
MW174.23 g/mol
LogP0.25
Rot. Bonds2

About 3-ethyl-1-methylsulfonylpyrazole

3-ethyl-1-methylsulfonylpyrazole (PubChem CID 175072863) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 3-ethyl-1-methylsulfonylpyrazole.

Molecular Properties

Compound Name3-ethyl-1-methylsulfonylpyrazole
PubChem CID175072863
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name3-ethyl-1-methylsulfonylpyrazole
SMILESCCc1ccn(S(C)(=O)=O)n1
InChIInChI=1S/C6H10N2O2S/c1-3-6-4-5-8(7-6)11(2,9)10/h4-5H,3H2,1-2H3
InChIKeyYBDBUGAFGZVWFO-UHFFFAOYSA-N
XLogP0.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylsulfonylpyrazole?
The IUPAC name of 3-ethyl-1-methylsulfonylpyrazole (CID 175072863) is 3-ethyl-1-methylsulfonylpyrazole.
What is the SMILES notation for 3-ethyl-1-methylsulfonylpyrazole?
The canonical SMILES for 3-ethyl-1-methylsulfonylpyrazole is CCc1ccn(S(C)(=O)=O)n1.
What is the InChIKey of 3-ethyl-1-methylsulfonylpyrazole?
The InChIKey is YBDBUGAFGZVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-6-4-5-8(7-6)11(2,9)10/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylsulfonylpyrazole?
3-ethyl-1-methylsulfonylpyrazole has a molecular weight of 174.23 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylsulfonylpyrazole is sourced from PubChem (CID 175072863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).