phenyl(pyrazol-1-yl)diazene

C9H8N4 — CID 19834442

IUPACphenyl(pyrazol-1-yl)diazene
SMILESc1ccc(/N=N/n2cccn2)cc1
InChIInChI=1S/C9H8N4/c1-2-5-9(6-3-1)11-12-13-8-4-7-10-13/h1-8H/b12-11+
InChIKeySYPNWKBYGRAMPS-VAWYXSNFSA-N
MW172.19 g/mol
LogP2.43
Rot. Bonds2

About phenyl(pyrazol-1-yl)diazene

phenyl(pyrazol-1-yl)diazene (PubChem CID 19834442) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is phenyl(pyrazol-1-yl)diazene.

Molecular Properties

Compound Namephenyl(pyrazol-1-yl)diazene
PubChem CID19834442
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Namephenyl(pyrazol-1-yl)diazene
SMILESc1ccc(/N=N/n2cccn2)cc1
InChIInChI=1S/C9H8N4/c1-2-5-9(6-3-1)11-12-13-8-4-7-10-13/h1-8H/b12-11+
InChIKeySYPNWKBYGRAMPS-VAWYXSNFSA-N
XLogP2.43
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(pyrazol-1-yl)diazene?
The IUPAC name of phenyl(pyrazol-1-yl)diazene (CID 19834442) is phenyl(pyrazol-1-yl)diazene.
What is the SMILES notation for phenyl(pyrazol-1-yl)diazene?
The canonical SMILES for phenyl(pyrazol-1-yl)diazene is c1ccc(/N=N/n2cccn2)cc1.
What is the InChIKey of phenyl(pyrazol-1-yl)diazene?
The InChIKey is SYPNWKBYGRAMPS-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-5-9(6-3-1)11-12-13-8-4-7-10-13/h1-8H/b12-11+.
What are the key properties of phenyl(pyrazol-1-yl)diazene?
phenyl(pyrazol-1-yl)diazene has a molecular weight of 172.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyrazol-1-yl)diazene is sourced from PubChem (CID 19834442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).