1H-pyrazole;pyridine;sulfuric acid

C8H11N3O4S — CID 174918385

IUPAC1H-pyrazole;pyridine;sulfuric acid
SMILESO=S(=O)(O)O.c1ccncc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.C3H4N2.H2O4S/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-3H,(H,4,5);(H2,1,2,3,4)
InChIKeyLFYZUTDFKWKASU-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.84
Rot. Bonds

About 1H-pyrazole;pyridine;sulfuric acid

1H-pyrazole;pyridine;sulfuric acid (PubChem CID 174918385) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 1H-pyrazole;pyridine;sulfuric acid.

Molecular Properties

Compound Name1H-pyrazole;pyridine;sulfuric acid
PubChem CID174918385
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name1H-pyrazole;pyridine;sulfuric acid
SMILESO=S(=O)(O)O.c1ccncc1.c1cn[nH]c1
InChIInChI=1S/C5H5N.C3H4N2.H2O4S/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-3H,(H,4,5);(H2,1,2,3,4)
InChIKeyLFYZUTDFKWKASU-UHFFFAOYSA-N
XLogP0.84
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;pyridine;sulfuric acid?
The IUPAC name of 1H-pyrazole;pyridine;sulfuric acid (CID 174918385) is 1H-pyrazole;pyridine;sulfuric acid.
What is the SMILES notation for 1H-pyrazole;pyridine;sulfuric acid?
The canonical SMILES for 1H-pyrazole;pyridine;sulfuric acid is O=S(=O)(O)O.c1ccncc1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;pyridine;sulfuric acid?
The InChIKey is LFYZUTDFKWKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H4N2.H2O4S/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-3H,(H,4,5);(H2,1,2,3,4).
What are the key properties of 1H-pyrazole;pyridine;sulfuric acid?
1H-pyrazole;pyridine;sulfuric acid has a molecular weight of 245.26 g/mol, XLogP of 0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;pyridine;sulfuric acid is sourced from PubChem (CID 174918385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).