cesium 1H-pyrazole-4-sulfonate

C3H3CsN2O3S — CID 139176340

IUPACcesium 1H-pyrazole-4-sulfonate
SMILESO=S(=O)([O-])c1cn[nH]c1.[Cs+]
InChIInChI=1S/C3H4N2O3S.Cs/c6-9(7,8)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7,8);/q;+1/p-1
InChIKeyQUDKGAPAKNPOOG-UHFFFAOYSA-M
MW280.04 g/mol
LogP-3.68
Rot. Bonds1

About cesium 1H-pyrazole-4-sulfonate

cesium 1H-pyrazole-4-sulfonate (PubChem CID 139176340) has the molecular formula C3H3CsN2O3S and a molecular weight of 280.04 g/mol. Its IUPAC name is cesium 1H-pyrazole-4-sulfonate.

Molecular Properties

Compound Namecesium 1H-pyrazole-4-sulfonate
PubChem CID139176340
Molecular FormulaC3H3CsN2O3S
Molecular Weight280.04 g/mol
Exact Mass279.89
IUPAC Namecesium 1H-pyrazole-4-sulfonate
SMILESO=S(=O)([O-])c1cn[nH]c1.[Cs+]
InChIInChI=1S/C3H4N2O3S.Cs/c6-9(7,8)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7,8);/q;+1/p-1
InChIKeyQUDKGAPAKNPOOG-UHFFFAOYSA-M
XLogP-3.68
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 5-3.68
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 cesium 1H-pyrazole-4-sulfonate?
The IUPAC name of cesium 1H-pyrazole-4-sulfonate (CID 139176340) is cesium 1H-pyrazole-4-sulfonate.
What is the SMILES notation for cesium 1H-pyrazole-4-sulfonate?
The canonical SMILES for cesium 1H-pyrazole-4-sulfonate is O=S(=O)([O-])c1cn[nH]c1.[Cs+].
What is the InChIKey of cesium 1H-pyrazole-4-sulfonate?
The InChIKey is QUDKGAPAKNPOOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O3S.Cs/c6-9(7,8)3-1-4-5-2-3;/h1-2H,(H,4,5)(H,6,7,8);/q;+1/p-1.
What are the key properties of cesium 1H-pyrazole-4-sulfonate?
cesium 1H-pyrazole-4-sulfonate has a molecular weight of 280.04 g/mol, XLogP of -3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1H-pyrazole-4-sulfonate is sourced from PubChem (CID 139176340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).