1-methylsulfonylpyrazol-4-ol

C4H6N2O3S — CID 133083285

IUPAC1-methylsulfonylpyrazol-4-ol
SMILESCS(=O)(=O)n1cc(O)cn1
InChIInChI=1S/C4H6N2O3S/c1-10(8,9)6-3-4(7)2-5-6/h2-3,7H,1H3
InChIKeyFLZKIXOFYKPIGX-UHFFFAOYSA-N
MW162.17 g/mol
LogP-0.60
Rot. Bonds1

About 1-methylsulfonylpyrazol-4-ol

1-methylsulfonylpyrazol-4-ol (PubChem CID 133083285) has the molecular formula C4H6N2O3S and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-methylsulfonylpyrazol-4-ol.

Molecular Properties

Compound Name1-methylsulfonylpyrazol-4-ol
PubChem CID133083285
Molecular FormulaC4H6N2O3S
Molecular Weight162.17 g/mol
Exact Mass162.01
IUPAC Name1-methylsulfonylpyrazol-4-ol
SMILESCS(=O)(=O)n1cc(O)cn1
InChIInChI=1S/C4H6N2O3S/c1-10(8,9)6-3-4(7)2-5-6/h2-3,7H,1H3
InChIKeyFLZKIXOFYKPIGX-UHFFFAOYSA-N
XLogP-0.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpyrazol-4-ol?
The IUPAC name of 1-methylsulfonylpyrazol-4-ol (CID 133083285) is 1-methylsulfonylpyrazol-4-ol.
What is the SMILES notation for 1-methylsulfonylpyrazol-4-ol?
The canonical SMILES for 1-methylsulfonylpyrazol-4-ol is CS(=O)(=O)n1cc(O)cn1.
What is the InChIKey of 1-methylsulfonylpyrazol-4-ol?
The InChIKey is FLZKIXOFYKPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3S/c1-10(8,9)6-3-4(7)2-5-6/h2-3,7H,1H3.
What are the key properties of 1-methylsulfonylpyrazol-4-ol?
1-methylsulfonylpyrazol-4-ol has a molecular weight of 162.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpyrazol-4-ol is sourced from PubChem (CID 133083285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).