(2-ethylpyrazol-3-yl)methanesulfonic acid

C6H10N2O3S — CID 175919562

IUPAC(2-ethylpyrazol-3-yl)methanesulfonic acid
SMILESCCn1nccc1CS(=O)(=O)O
InChIInChI=1S/C6H10N2O3S/c1-2-8-6(3-4-7-8)5-12(9,10)11/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyUGMPQORMHPZZIY-UHFFFAOYSA-N
MW190.22 g/mol
LogP0.29
Rot. Bonds3

About (2-ethylpyrazol-3-yl)methanesulfonic acid

(2-ethylpyrazol-3-yl)methanesulfonic acid (PubChem CID 175919562) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)methanesulfonic acid.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)methanesulfonic acid
PubChem CID175919562
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name(2-ethylpyrazol-3-yl)methanesulfonic acid
SMILESCCn1nccc1CS(=O)(=O)O
InChIInChI=1S/C6H10N2O3S/c1-2-8-6(3-4-7-8)5-12(9,10)11/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyUGMPQORMHPZZIY-UHFFFAOYSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)methanesulfonic acid?
The IUPAC name of (2-ethylpyrazol-3-yl)methanesulfonic acid (CID 175919562) is (2-ethylpyrazol-3-yl)methanesulfonic acid.
What is the SMILES notation for (2-ethylpyrazol-3-yl)methanesulfonic acid?
The canonical SMILES for (2-ethylpyrazol-3-yl)methanesulfonic acid is CCn1nccc1CS(=O)(=O)O.
What is the InChIKey of (2-ethylpyrazol-3-yl)methanesulfonic acid?
The InChIKey is UGMPQORMHPZZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c1-2-8-6(3-4-7-8)5-12(9,10)11/h3-4H,2,5H2,1H3,(H,9,10,11).
What are the key properties of (2-ethylpyrazol-3-yl)methanesulfonic acid?
(2-ethylpyrazol-3-yl)methanesulfonic acid has a molecular weight of 190.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)methanesulfonic acid is sourced from PubChem (CID 175919562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).