1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol

C8H14N2O3S — CID 115622254

IUPAC1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
SMILESCCn1nccc1C(O)CS(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-10-7(4-5-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3
InChIKeyFMLOJLLSHLOSKP-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.02
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol

1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol (PubChem CID 115622254) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
PubChem CID115622254
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol
SMILESCCn1nccc1C(O)CS(C)(=O)=O
InChIInChI=1S/C8H14N2O3S/c1-3-10-7(4-5-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3
InChIKeyFMLOJLLSHLOSKP-UHFFFAOYSA-N
XLogP-0.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
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2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol (CID 115622254) is 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol is CCn1nccc1C(O)CS(C)(=O)=O.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol?
The InChIKey is FMLOJLLSHLOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-10-7(4-5-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol?
1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol has a molecular weight of 218.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 115622254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).