5-methyl-1H-pyrazole-3-diazonium

C4H5N4+ — CID 11446405

IUPAC5-methyl-1H-pyrazole-3-diazonium
SMILESCc1cc([N+]#N)n[nH]1
InChIInChI=1S/C4H5N4/c1-3-2-4(6-5)8-7-3/h2H,1H3,(H,7,8)/q+1
InChIKeyLSMJPDYHTOFCFI-UHFFFAOYSA-N
MW109.11 g/mol
LogP1.20
Rot. Bonds

About 5-methyl-1H-pyrazole-3-diazonium

5-methyl-1H-pyrazole-3-diazonium (PubChem CID 11446405) has the molecular formula C4H5N4+ and a molecular weight of 109.11 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-3-diazonium.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-3-diazonium
PubChem CID11446405
Molecular FormulaC4H5N4+
Molecular Weight109.11 g/mol
Exact Mass109.05
IUPAC Name5-methyl-1H-pyrazole-3-diazonium
SMILESCc1cc([N+]#N)n[nH]1
InChIInChI=1S/C4H5N4/c1-3-2-4(6-5)8-7-3/h2H,1H3,(H,7,8)/q+1
InChIKeyLSMJPDYHTOFCFI-UHFFFAOYSA-N
XLogP1.20
TPSA56.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.11
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-methyl-1H-pyrazole-3-diazonium?
The IUPAC name of 5-methyl-1H-pyrazole-3-diazonium (CID 11446405) is 5-methyl-1H-pyrazole-3-diazonium.
What is the SMILES notation for 5-methyl-1H-pyrazole-3-diazonium?
The canonical SMILES for 5-methyl-1H-pyrazole-3-diazonium is Cc1cc([N+]#N)n[nH]1.
What is the InChIKey of 5-methyl-1H-pyrazole-3-diazonium?
The InChIKey is LSMJPDYHTOFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N4/c1-3-2-4(6-5)8-7-3/h2H,1H3,(H,7,8)/q+1.
What are the key properties of 5-methyl-1H-pyrazole-3-diazonium?
5-methyl-1H-pyrazole-3-diazonium has a molecular weight of 109.11 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-3-diazonium is sourced from PubChem (CID 11446405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).