4-acetyl-1H-pyrazole-5-diazonium

C5H5N4O+ — CID 134883663

IUPAC4-acetyl-1H-pyrazole-5-diazonium
SMILESCC(=O)c1cn[nH]c1[N+]#N
InChIInChI=1S/C5H4N4O/c1-3(10)4-2-7-9-5(4)8-6/h2H,1H3/p+1
InChIKeyIWUOLJBKWGUBMD-UHFFFAOYSA-O
MW137.12 g/mol
LogP1.10
Rot. Bonds1

About 4-acetyl-1H-pyrazole-5-diazonium

4-acetyl-1H-pyrazole-5-diazonium (PubChem CID 134883663) has the molecular formula C5H5N4O+ and a molecular weight of 137.12 g/mol. Its IUPAC name is 4-acetyl-1H-pyrazole-5-diazonium.

Molecular Properties

Compound Name4-acetyl-1H-pyrazole-5-diazonium
PubChem CID134883663
Molecular FormulaC5H5N4O+
Molecular Weight137.12 g/mol
Exact Mass137.05
IUPAC Name4-acetyl-1H-pyrazole-5-diazonium
SMILESCC(=O)c1cn[nH]c1[N+]#N
InChIInChI=1S/C5H4N4O/c1-3(10)4-2-7-9-5(4)8-6/h2H,1H3/p+1
InChIKeyIWUOLJBKWGUBMD-UHFFFAOYSA-O
XLogP1.10
TPSA73.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1H-pyrazole-5-diazonium?
The IUPAC name of 4-acetyl-1H-pyrazole-5-diazonium (CID 134883663) is 4-acetyl-1H-pyrazole-5-diazonium.
What is the SMILES notation for 4-acetyl-1H-pyrazole-5-diazonium?
The canonical SMILES for 4-acetyl-1H-pyrazole-5-diazonium is CC(=O)c1cn[nH]c1[N+]#N.
What is the InChIKey of 4-acetyl-1H-pyrazole-5-diazonium?
The InChIKey is IWUOLJBKWGUBMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4O/c1-3(10)4-2-7-9-5(4)8-6/h2H,1H3/p+1.
What are the key properties of 4-acetyl-1H-pyrazole-5-diazonium?
4-acetyl-1H-pyrazole-5-diazonium has a molecular weight of 137.12 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1H-pyrazole-5-diazonium is sourced from PubChem (CID 134883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).