1H-pyrazole;sulfuric acid

C3H6N2O4S — CID 22222819

IUPAC1H-pyrazole;sulfuric acid
SMILESO=S(=O)(O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H2,1,2,3,4)
InChIKeyZNTBVZRXCXYINT-UHFFFAOYSA-N
MW166.16 g/mol
LogP-0.24
Rot. Bonds

About 1H-pyrazole;sulfuric acid

1H-pyrazole;sulfuric acid (PubChem CID 22222819) has the molecular formula C3H6N2O4S and a molecular weight of 166.16 g/mol. Its IUPAC name is 1H-pyrazole;sulfuric acid.

Molecular Properties

Compound Name1H-pyrazole;sulfuric acid
PubChem CID22222819
Molecular FormulaC3H6N2O4S
Molecular Weight166.16 g/mol
Exact Mass166.00
IUPAC Name1H-pyrazole;sulfuric acid
SMILESO=S(=O)(O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H2,1,2,3,4)
InChIKeyZNTBVZRXCXYINT-UHFFFAOYSA-N
XLogP-0.24
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;sulfuric acid?
The IUPAC name of 1H-pyrazole;sulfuric acid (CID 22222819) is 1H-pyrazole;sulfuric acid.
What is the SMILES notation for 1H-pyrazole;sulfuric acid?
The canonical SMILES for 1H-pyrazole;sulfuric acid is O=S(=O)(O)O.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;sulfuric acid?
The InChIKey is ZNTBVZRXCXYINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.H2O4S/c1-2-4-5-3-1;1-5(2,3)4/h1-3H,(H,4,5);(H2,1,2,3,4).
What are the key properties of 1H-pyrazole;sulfuric acid?
1H-pyrazole;sulfuric acid has a molecular weight of 166.16 g/mol, XLogP of -0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;sulfuric acid is sourced from PubChem (CID 22222819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).