1H-pyrazole-5-carbonyl azide

C4H3N5O — CID 53414202

IUPAC1H-pyrazole-5-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccn[nH]1
InChIInChI=1S/C4H3N5O/c5-9-8-4(10)3-1-2-6-7-3/h1-2H,(H,6,7)
InChIKeyMIHHTKLLYWWYQX-UHFFFAOYSA-N
MW137.10 g/mol
LogP0.86
Rot. Bonds1

About 1H-pyrazole-5-carbonyl azide

1H-pyrazole-5-carbonyl azide (PubChem CID 53414202) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 1H-pyrazole-5-carbonyl azide.

Molecular Properties

Compound Name1H-pyrazole-5-carbonyl azide
PubChem CID53414202
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name1H-pyrazole-5-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccn[nH]1
InChIInChI=1S/C4H3N5O/c5-9-8-4(10)3-1-2-6-7-3/h1-2H,(H,6,7)
InChIKeyMIHHTKLLYWWYQX-UHFFFAOYSA-N
XLogP0.86
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 50.86
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'}

Analyze 1H-pyrazole-5-carbonyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carbonyl azide?
The IUPAC name of 1H-pyrazole-5-carbonyl azide (CID 53414202) is 1H-pyrazole-5-carbonyl azide.
What is the SMILES notation for 1H-pyrazole-5-carbonyl azide?
The canonical SMILES for 1H-pyrazole-5-carbonyl azide is [N-]=[N+]=NC(=O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carbonyl azide?
The InChIKey is MIHHTKLLYWWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c5-9-8-4(10)3-1-2-6-7-3/h1-2H,(H,6,7).
What are the key properties of 1H-pyrazole-5-carbonyl azide?
1H-pyrazole-5-carbonyl azide has a molecular weight of 137.10 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carbonyl azide is sourced from PubChem (CID 53414202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).