1H-pyrazole-5-sulfonic acid

C3H4N2O3S — CID 19014003

IUPAC1H-pyrazole-5-sulfonic acid
SMILESO=S(=O)(O)c1ccn[nH]1
InChIInChI=1S/C3H4N2O3S/c6-9(7,8)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7,8)
InChIKeyYOHIALXJJVJDGU-UHFFFAOYSA-N
MW148.14 g/mol
LogP-0.34
Rot. Bonds1

About 1H-pyrazole-5-sulfonic acid

1H-pyrazole-5-sulfonic acid (PubChem CID 19014003) has the molecular formula C3H4N2O3S and a molecular weight of 148.14 g/mol. Its IUPAC name is 1H-pyrazole-5-sulfonic acid.

Molecular Properties

Compound Name1H-pyrazole-5-sulfonic acid
PubChem CID19014003
Molecular FormulaC3H4N2O3S
Molecular Weight148.14 g/mol
Exact Mass147.99
IUPAC Name1H-pyrazole-5-sulfonic acid
SMILESO=S(=O)(O)c1ccn[nH]1
InChIInChI=1S/C3H4N2O3S/c6-9(7,8)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7,8)
InChIKeyYOHIALXJJVJDGU-UHFFFAOYSA-N
XLogP-0.34
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1H-pyrazole-5-sulfonic acid?
The IUPAC name of 1H-pyrazole-5-sulfonic acid (CID 19014003) is 1H-pyrazole-5-sulfonic acid.
What is the SMILES notation for 1H-pyrazole-5-sulfonic acid?
The canonical SMILES for 1H-pyrazole-5-sulfonic acid is O=S(=O)(O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-sulfonic acid?
The InChIKey is YOHIALXJJVJDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O3S/c6-9(7,8)3-1-2-4-5-3/h1-2H,(H,4,5)(H,6,7,8).
What are the key properties of 1H-pyrazole-5-sulfonic acid?
1H-pyrazole-5-sulfonic acid has a molecular weight of 148.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-sulfonic acid is sourced from PubChem (CID 19014003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).