1-ethylsulfonylpyrazol-4-ol

C5H8N2O3S — CID 133083286

IUPAC1-ethylsulfonylpyrazol-4-ol
SMILESCCS(=O)(=O)n1cc(O)cn1
InChIInChI=1S/C5H8N2O3S/c1-2-11(9,10)7-4-5(8)3-6-7/h3-4,8H,2H2,1H3
InChIKeyMPDIXWMYIXKBMB-UHFFFAOYSA-N
MW176.20 g/mol
LogP-0.21
Rot. Bonds2

About 1-ethylsulfonylpyrazol-4-ol

1-ethylsulfonylpyrazol-4-ol (PubChem CID 133083286) has the molecular formula C5H8N2O3S and a molecular weight of 176.20 g/mol. Its IUPAC name is 1-ethylsulfonylpyrazol-4-ol.

Molecular Properties

Compound Name1-ethylsulfonylpyrazol-4-ol
PubChem CID133083286
Molecular FormulaC5H8N2O3S
Molecular Weight176.20 g/mol
Exact Mass176.03
IUPAC Name1-ethylsulfonylpyrazol-4-ol
SMILESCCS(=O)(=O)n1cc(O)cn1
InChIInChI=1S/C5H8N2O3S/c1-2-11(9,10)7-4-5(8)3-6-7/h3-4,8H,2H2,1H3
InChIKeyMPDIXWMYIXKBMB-UHFFFAOYSA-N
XLogP-0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylpyrazol-4-ol?
The IUPAC name of 1-ethylsulfonylpyrazol-4-ol (CID 133083286) is 1-ethylsulfonylpyrazol-4-ol.
What is the SMILES notation for 1-ethylsulfonylpyrazol-4-ol?
The canonical SMILES for 1-ethylsulfonylpyrazol-4-ol is CCS(=O)(=O)n1cc(O)cn1.
What is the InChIKey of 1-ethylsulfonylpyrazol-4-ol?
The InChIKey is MPDIXWMYIXKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3S/c1-2-11(9,10)7-4-5(8)3-6-7/h3-4,8H,2H2,1H3.
What are the key properties of 1-ethylsulfonylpyrazol-4-ol?
1-ethylsulfonylpyrazol-4-ol has a molecular weight of 176.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylpyrazol-4-ol is sourced from PubChem (CID 133083286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).