1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol

C8H14N2O3S — CID 115601039

IUPAC1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
SMILESCCn1cc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C8H14N2O3S/c1-3-10-5-7(4-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3
InChIKeyICPUBDFPXZSGKU-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.02
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol

1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol (PubChem CID 115601039) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
PubChem CID115601039
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
SMILESCCn1cc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C8H14N2O3S/c1-3-10-5-7(4-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3
InChIKeyICPUBDFPXZSGKU-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

2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
N-[2-(1-ethylpyrazol-4-yl)-2-hydroxyethyl]acetamide
CID 157036975
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 63894691
2-[1-(1-ethylpyrazol-4-yl)ethyl-methylamino]acetic acid
CID 65056387
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol (CID 115601039) is 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol is CCn1cc(C(O)CS(C)(=O)=O)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol?
The InChIKey is ICPUBDFPXZSGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-3-10-5-7(4-9-10)8(11)6-14(2,12)13/h4-5,8,11H,3,6H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol?
1-(1-ethylpyrazol-4-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-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 115601039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).