5-azido-1H-pyrazole

C3H3N5 — CID 15323000

IUPAC5-azido-1H-pyrazole
SMILES[N-]=[N+]=Nc1ccn[nH]1
InChIInChI=1S/C3H3N5/c4-8-7-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyKKKGXLQRKPKJON-UHFFFAOYSA-N
MW109.09 g/mol
LogP1.35
Rot. Bonds1

About 5-azido-1H-pyrazole

5-azido-1H-pyrazole (PubChem CID 15323000) has the molecular formula C3H3N5 and a molecular weight of 109.09 g/mol. Its IUPAC name is 5-azido-1H-pyrazole.

Molecular Properties

Compound Name5-azido-1H-pyrazole
PubChem CID15323000
Molecular FormulaC3H3N5
Molecular Weight109.09 g/mol
Exact Mass109.04
IUPAC Name5-azido-1H-pyrazole
SMILES[N-]=[N+]=Nc1ccn[nH]1
InChIInChI=1S/C3H3N5/c4-8-7-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyKKKGXLQRKPKJON-UHFFFAOYSA-N
XLogP1.35
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.09
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1H-pyrazole?
The IUPAC name of 5-azido-1H-pyrazole (CID 15323000) is 5-azido-1H-pyrazole.
What is the SMILES notation for 5-azido-1H-pyrazole?
The canonical SMILES for 5-azido-1H-pyrazole is [N-]=[N+]=Nc1ccn[nH]1.
What is the InChIKey of 5-azido-1H-pyrazole?
The InChIKey is KKKGXLQRKPKJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5/c4-8-7-3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of 5-azido-1H-pyrazole?
5-azido-1H-pyrazole has a molecular weight of 109.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1H-pyrazole is sourced from PubChem (CID 15323000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).