5-azido-1-methylpyrazole

C4H5N5 — CID 11434941

IUPAC5-azido-1-methylpyrazole
SMILESCn1nccc1N=[N+]=[N-]
InChIInChI=1S/C4H5N5/c1-9-4(7-8-5)2-3-6-9/h2-3H,1H3
InChIKeySOAWIEGLOQCTAA-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.36
Rot. Bonds1

About 5-azido-1-methylpyrazole

5-azido-1-methylpyrazole (PubChem CID 11434941) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 5-azido-1-methylpyrazole.

Molecular Properties

Compound Name5-azido-1-methylpyrazole
PubChem CID11434941
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name5-azido-1-methylpyrazole
SMILESCn1nccc1N=[N+]=[N-]
InChIInChI=1S/C4H5N5/c1-9-4(7-8-5)2-3-6-9/h2-3H,1H3
InChIKeySOAWIEGLOQCTAA-UHFFFAOYSA-N
XLogP1.36
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-methylpyrazole?
The IUPAC name of 5-azido-1-methylpyrazole (CID 11434941) is 5-azido-1-methylpyrazole.
What is the SMILES notation for 5-azido-1-methylpyrazole?
The canonical SMILES for 5-azido-1-methylpyrazole is Cn1nccc1N=[N+]=[N-].
What is the InChIKey of 5-azido-1-methylpyrazole?
The InChIKey is SOAWIEGLOQCTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c1-9-4(7-8-5)2-3-6-9/h2-3H,1H3.
What are the key properties of 5-azido-1-methylpyrazole?
5-azido-1-methylpyrazole has a molecular weight of 123.12 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-methylpyrazole is sourced from PubChem (CID 11434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).