1H-pyrazol-5-ylmethyldiazene

C4H6N4 — CID 91296493

IUPAC1H-pyrazol-5-ylmethyldiazene
SMILES[H]/N=N/Cc1ccn[nH]1
InChIInChI=1S/C4H6N4/c5-6-3-4-1-2-7-8-4/h1-2,5H,3H2,(H,7,8)/b6-5+
InChIKeyWOKOPAQEPYLHNL-AATRIKPKSA-N
MW110.12 g/mol
LogP0.94
Rot. Bonds2

About 1H-pyrazol-5-ylmethyldiazene

1H-pyrazol-5-ylmethyldiazene (PubChem CID 91296493) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 1H-pyrazol-5-ylmethyldiazene.

Molecular Properties

Compound Name1H-pyrazol-5-ylmethyldiazene
PubChem CID91296493
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name1H-pyrazol-5-ylmethyldiazene
SMILES[H]/N=N/Cc1ccn[nH]1
InChIInChI=1S/C4H6N4/c5-6-3-4-1-2-7-8-4/h1-2,5H,3H2,(H,7,8)/b6-5+
InChIKeyWOKOPAQEPYLHNL-AATRIKPKSA-N
XLogP0.94
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-pyrazol-5-ylmethyldiazene 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-pyrazol-5-ylmethyldiazene?
The IUPAC name of 1H-pyrazol-5-ylmethyldiazene (CID 91296493) is 1H-pyrazol-5-ylmethyldiazene.
What is the SMILES notation for 1H-pyrazol-5-ylmethyldiazene?
The canonical SMILES for 1H-pyrazol-5-ylmethyldiazene is [H]/N=N/Cc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-ylmethyldiazene?
The InChIKey is WOKOPAQEPYLHNL-AATRIKPKSA-N. The full InChI is InChI=1S/C4H6N4/c5-6-3-4-1-2-7-8-4/h1-2,5H,3H2,(H,7,8)/b6-5+.
What are the key properties of 1H-pyrazol-5-ylmethyldiazene?
1H-pyrazol-5-ylmethyldiazene has a molecular weight of 110.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-ylmethyldiazene is sourced from PubChem (CID 91296493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).