4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole

C11H20N2O3S — CID 106732657

IUPAC4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole
SMILESCCn1cc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C11H20N2O3S/c1-5-13-9-10(8-12-13)16-6-7-17(14,15)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyHJLLMVQQBUIWOJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.50
Rot. Bonds5

About 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole

4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole (PubChem CID 106732657) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole.

Molecular Properties

Compound Name4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole
PubChem CID106732657
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole
SMILESCCn1cc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C11H20N2O3S/c1-5-13-9-10(8-12-13)16-6-7-17(14,15)11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyHJLLMVQQBUIWOJ-UHFFFAOYSA-N
XLogP1.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole?
The IUPAC name of 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole (CID 106732657) is 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole.
What is the SMILES notation for 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole?
The canonical SMILES for 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole is CCn1cc(OCCS(=O)(=O)C(C)(C)C)cn1.
What is the InChIKey of 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole?
The InChIKey is HJLLMVQQBUIWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-5-13-9-10(8-12-13)16-6-7-17(14,15)11(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole?
4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole has a molecular weight of 260.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylsulfonylethoxy)-1-ethylpyrazole is sourced from PubChem (CID 106732657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).