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

C4H5ClN4 — CID 11446404

IUPAC5-methyl-1H-pyrazole-3-diazonium chloride
SMILESCc1cc([N+]#N)n[nH]1.[Cl-]
InChIInChI=1S/C4H5N4.ClH/c1-3-2-4(6-5)8-7-3;/h2H,1H3,(H,7,8);1H/q+1;/p-1
InChIKeyQVHIMGDRZAFPKI-UHFFFAOYSA-M
MW144.56 g/mol
LogP-1.79
Rot. Bonds

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

5-methyl-1H-pyrazole-3-diazonium chloride (PubChem CID 11446404) has the molecular formula C4H5ClN4 and a molecular weight of 144.56 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-3-diazonium chloride.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-3-diazonium chloride
PubChem CID11446404
Molecular FormulaC4H5ClN4
Molecular Weight144.56 g/mol
Exact Mass144.02
IUPAC Name5-methyl-1H-pyrazole-3-diazonium chloride
SMILESCc1cc([N+]#N)n[nH]1.[Cl-]
InChIInChI=1S/C4H5N4.ClH/c1-3-2-4(6-5)8-7-3;/h2H,1H3,(H,7,8);1H/q+1;/p-1
InChIKeyQVHIMGDRZAFPKI-UHFFFAOYSA-M
XLogP-1.79
TPSA56.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 5-1.79
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 chloride?
The IUPAC name of 5-methyl-1H-pyrazole-3-diazonium chloride (CID 11446404) is 5-methyl-1H-pyrazole-3-diazonium chloride.
What is the SMILES notation for 5-methyl-1H-pyrazole-3-diazonium chloride?
The canonical SMILES for 5-methyl-1H-pyrazole-3-diazonium chloride is Cc1cc([N+]#N)n[nH]1.[Cl-].
What is the InChIKey of 5-methyl-1H-pyrazole-3-diazonium chloride?
The InChIKey is QVHIMGDRZAFPKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N4.ClH/c1-3-2-4(6-5)8-7-3;/h2H,1H3,(H,7,8);1H/q+1;/p-1.
What are the key properties of 5-methyl-1H-pyrazole-3-diazonium chloride?
5-methyl-1H-pyrazole-3-diazonium chloride has a molecular weight of 144.56 g/mol, XLogP of -1.79, 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 chloride is sourced from PubChem (CID 11446404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).