1,3-dimethylpyrazole-4-diazonium

C5H7N4+ — CID 12687201

IUPAC1,3-dimethylpyrazole-4-diazonium
SMILESCc1nn(C)cc1[N+]#N
InChIInChI=1S/C5H7N4/c1-4-5(7-6)3-9(2)8-4/h3H,1-2H3/q+1
InChIKeyLJWIBVWKAZYGDH-UHFFFAOYSA-N
MW123.14 g/mol
LogP1.21
Rot. Bonds

About 1,3-dimethylpyrazole-4-diazonium

1,3-dimethylpyrazole-4-diazonium (PubChem CID 12687201) has the molecular formula C5H7N4+ and a molecular weight of 123.14 g/mol. Its IUPAC name is 1,3-dimethylpyrazole-4-diazonium.

Molecular Properties

Compound Name1,3-dimethylpyrazole-4-diazonium
PubChem CID12687201
Molecular FormulaC5H7N4+
Molecular Weight123.14 g/mol
Exact Mass123.07
IUPAC Name1,3-dimethylpyrazole-4-diazonium
SMILESCc1nn(C)cc1[N+]#N
InChIInChI=1S/C5H7N4/c1-4-5(7-6)3-9(2)8-4/h3H,1-2H3/q+1
InChIKeyLJWIBVWKAZYGDH-UHFFFAOYSA-N
XLogP1.21
TPSA45.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-isocyano-1,3-dimethylpyrazole
CID 20736941
4-bromo-1,3-dimethylpyrazole
CID 12615416
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
CID 83095091
4-tert-butyl-1,3-dimethylpyrazole;ethane
CID 144507341
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1,3-dimethyl-4-methylsulfinylpyrazole
CID 142372649

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole-4-diazonium?
The IUPAC name of 1,3-dimethylpyrazole-4-diazonium (CID 12687201) is 1,3-dimethylpyrazole-4-diazonium.
What is the SMILES notation for 1,3-dimethylpyrazole-4-diazonium?
The canonical SMILES for 1,3-dimethylpyrazole-4-diazonium is Cc1nn(C)cc1[N+]#N.
What is the InChIKey of 1,3-dimethylpyrazole-4-diazonium?
The InChIKey is LJWIBVWKAZYGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N4/c1-4-5(7-6)3-9(2)8-4/h3H,1-2H3/q+1.
What are the key properties of 1,3-dimethylpyrazole-4-diazonium?
1,3-dimethylpyrazole-4-diazonium has a molecular weight of 123.14 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole-4-diazonium is sourced from PubChem (CID 12687201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).