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

C10H18N2O3S — CID 106732654

IUPAC4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole
SMILESCn1cc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)6-5-15-9-7-11-12(4)8-9/h7-8H,5-6H2,1-4H3
InChIKeyGXEPARVLNZXHJZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.01
Rot. Bonds4

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

4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole (PubChem CID 106732654) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole
PubChem CID106732654
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole
SMILESCn1cc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)6-5-15-9-7-11-12(4)8-9/h7-8H,5-6H2,1-4H3
InChIKeyGXEPARVLNZXHJZ-UHFFFAOYSA-N
XLogP1.01
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.01
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-methylpyrazole?
The IUPAC name of 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole (CID 106732654) is 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole?
The canonical SMILES for 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole is Cn1cc(OCCS(=O)(=O)C(C)(C)C)cn1.
What is the InChIKey of 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole?
The InChIKey is GXEPARVLNZXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-10(2,3)16(13,14)6-5-15-9-7-11-12(4)8-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole?
4-(2-tert-butylsulfonylethoxy)-1-methylpyrazole has a molecular weight of 246.33 g/mol, XLogP of 1.01, 4 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-methylpyrazole is sourced from PubChem (CID 106732654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).