2-azido-N-(1H-pyrazol-5-yl)propanamide

C6H8N6O — CID 57031740

IUPAC2-azido-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(N=[N+]=[N-])C(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H8N6O/c1-4(10-12-7)6(13)9-5-2-3-8-11-5/h2-4H,1H3,(H2,8,9,11,13)
InChIKeyFZDJTZHXCDWYMT-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.05
Rot. Bonds3

About 2-azido-N-(1H-pyrazol-5-yl)propanamide

2-azido-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 57031740) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-azido-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-azido-N-(1H-pyrazol-5-yl)propanamide
PubChem CID57031740
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-azido-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(N=[N+]=[N-])C(=O)Nc1ccn[nH]1
InChIInChI=1S/C6H8N6O/c1-4(10-12-7)6(13)9-5-2-3-8-11-5/h2-4H,1H3,(H2,8,9,11,13)
InChIKeyFZDJTZHXCDWYMT-UHFFFAOYSA-N
XLogP1.05
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
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'}

Analyze 2-azido-N-(1H-pyrazol-5-yl)propanamide 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 2-azido-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2-azido-N-(1H-pyrazol-5-yl)propanamide (CID 57031740) is 2-azido-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2-azido-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2-azido-N-(1H-pyrazol-5-yl)propanamide is CC(N=[N+]=[N-])C(=O)Nc1ccn[nH]1.
What is the InChIKey of 2-azido-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is FZDJTZHXCDWYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c1-4(10-12-7)6(13)9-5-2-3-8-11-5/h2-4H,1H3,(H2,8,9,11,13).
What are the key properties of 2-azido-N-(1H-pyrazol-5-yl)propanamide?
2-azido-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 180.17 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 57031740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).