pyrazolo[1,5-a]pyrimidine;sulfuric acid

C6H7N3O4S — CID 172707658

IUPACpyrazolo[1,5-a]pyrimidine;sulfuric acid
SMILESO=S(=O)(O)O.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.H2O4S/c1-3-7-6-2-4-8-9(6)5-1;1-5(2,3)4/h1-5H;(H2,1,2,3,4)
InChIKeyDUSSOYOWBYIJDH-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.08
Rot. Bonds

About pyrazolo[1,5-a]pyrimidine;sulfuric acid

pyrazolo[1,5-a]pyrimidine;sulfuric acid (PubChem CID 172707658) has the molecular formula C6H7N3O4S and a molecular weight of 217.21 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine;sulfuric acid.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine;sulfuric acid
PubChem CID172707658
Molecular FormulaC6H7N3O4S
Molecular Weight217.21 g/mol
Exact Mass217.02
IUPAC Namepyrazolo[1,5-a]pyrimidine;sulfuric acid
SMILESO=S(=O)(O)O.c1cnc2ccnn2c1
InChIInChI=1S/C6H5N3.H2O4S/c1-3-7-6-2-4-8-9(6)5-1;1-5(2,3)4/h1-5H;(H2,1,2,3,4)
InChIKeyDUSSOYOWBYIJDH-UHFFFAOYSA-N
XLogP0.08
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3-pyrazolo[1,5-a]pyrimidin-2-ylphenol
CID 84678293
pyrazolo[1,5-a][1,3,5]triazine;hydrochloride
CID 172732644
2-aminopyridin-3-ol;sulfuric acid
CID 67131253
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658
bis((4-pyrazol-1-ylphenyl)methanamine);sulfuric acid
CID 163337704
6-methylpyrazolo[1,5-a]pyrimidine
CID 12773553
6-bromopyrazolo[1,5-a]pyrimidine
CID 22236701
copper;quinoline;sulfuric acid
CID 174956434
1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine;sulfuric acid?
The IUPAC name of pyrazolo[1,5-a]pyrimidine;sulfuric acid (CID 172707658) is pyrazolo[1,5-a]pyrimidine;sulfuric acid.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine;sulfuric acid?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine;sulfuric acid is O=S(=O)(O)O.c1cnc2ccnn2c1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine;sulfuric acid?
The InChIKey is DUSSOYOWBYIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.H2O4S/c1-3-7-6-2-4-8-9(6)5-1;1-5(2,3)4/h1-5H;(H2,1,2,3,4).
What are the key properties of pyrazolo[1,5-a]pyrimidine;sulfuric acid?
pyrazolo[1,5-a]pyrimidine;sulfuric acid has a molecular weight of 217.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine;sulfuric acid is sourced from PubChem (CID 172707658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).