methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate

C8H12N2O4S — CID 71285910

IUPACmethyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate
SMILESCCS(=O)(=O)n1ccc(CC(=O)OC)n1
InChIInChI=1S/C8H12N2O4S/c1-3-15(12,13)10-5-4-7(9-10)6-8(11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyQHURSEUBOXGHGR-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.20
Rot. Bonds4

About methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate

methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate (PubChem CID 71285910) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate
PubChem CID71285910
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Namemethyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate
SMILESCCS(=O)(=O)n1ccc(CC(=O)OC)n1
InChIInChI=1S/C8H12N2O4S/c1-3-15(12,13)10-5-4-7(9-10)6-8(11)14-2/h4-5H,3,6H2,1-2H3
InChIKeyQHURSEUBOXGHGR-UHFFFAOYSA-N
XLogP-0.20
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate (CID 71285910) is methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate is CCS(=O)(=O)n1ccc(CC(=O)OC)n1.
What is the InChIKey of methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate?
The InChIKey is QHURSEUBOXGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-3-15(12,13)10-5-4-7(9-10)6-8(11)14-2/h4-5H,3,6H2,1-2H3.
What are the key properties of methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate?
methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate has a molecular weight of 232.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethylsulfonylpyrazol-3-yl)acetate is sourced from PubChem (CID 71285910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).