5-pyrazol-1-ylthiophene-2-sulfonic acid

C7H6N2O3S2 — CID 87634089

IUPAC5-pyrazol-1-ylthiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-n2cccn2)s1
InChIInChI=1S/C7H6N2O3S2/c10-14(11,12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H,(H,10,11,12)
InChIKeyWFRGQGVEWAYFHH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.18
Rot. Bonds2

About 5-pyrazol-1-ylthiophene-2-sulfonic acid

5-pyrazol-1-ylthiophene-2-sulfonic acid (PubChem CID 87634089) has the molecular formula C7H6N2O3S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-pyrazol-1-ylthiophene-2-sulfonic acid.

Molecular Properties

Compound Name5-pyrazol-1-ylthiophene-2-sulfonic acid
PubChem CID87634089
Molecular FormulaC7H6N2O3S2
Molecular Weight230.27 g/mol
Exact Mass229.98
IUPAC Name5-pyrazol-1-ylthiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(-n2cccn2)s1
InChIInChI=1S/C7H6N2O3S2/c10-14(11,12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H,(H,10,11,12)
InChIKeyWFRGQGVEWAYFHH-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-pyrazol-1-ylthiophene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
5-Pyrazol-1-ylthiophene-2-thiol
CID 70532458
4-Iodo-1-(5-iodothiophen-2-yl)pyrazole
CID 70864816
5-(4-Iodopyrazol-1-yl)thiophene-2-sulfonyl chloride
CID 87432155
5-(4-Iodopyrazol-1-yl)thiophene-2-sulfonic acid;hydrochloride
CID 174515636
5-(4-Methylpyrazol-1-yl)thiophene-2-sulfonyl chloride
CID 52952713
(1-(Thiophen-2-yl)-1H-pyrazol-4-yl)boronic acid
CID 66521616
(5-(1H-Pyrazol-1-yl)thiophen-2-yl)boronic acid
CID 133634703
(5-(3-Methyl-1H-pyrazol-1-yl)thiophen-2-yl)boronic acid
CID 133638955
(5-(4-Methyl-1H-pyrazol-1-yl)thiophen-2-yl)boronic acid
CID 133638957

Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-ylthiophene-2-sulfonic acid?
The IUPAC name of 5-pyrazol-1-ylthiophene-2-sulfonic acid (CID 87634089) is 5-pyrazol-1-ylthiophene-2-sulfonic acid.
What is the SMILES notation for 5-pyrazol-1-ylthiophene-2-sulfonic acid?
The canonical SMILES for 5-pyrazol-1-ylthiophene-2-sulfonic acid is O=S(=O)(O)c1ccc(-n2cccn2)s1.
What is the InChIKey of 5-pyrazol-1-ylthiophene-2-sulfonic acid?
The InChIKey is WFRGQGVEWAYFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S2/c10-14(11,12)7-3-2-6(13-7)9-5-1-4-8-9/h1-5H,(H,10,11,12).
What are the key properties of 5-pyrazol-1-ylthiophene-2-sulfonic acid?
5-pyrazol-1-ylthiophene-2-sulfonic acid has a molecular weight of 230.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-ylthiophene-2-sulfonic acid is sourced from PubChem (CID 87634089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).