(4-phenyl-1H-pyrazol-5-yl)diazene

C9H8N4 — CID 166694156

IUPAC(4-phenyl-1H-pyrazol-5-yl)diazene
SMILES[H]/N=N/c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C9H8N4/c10-12-9-8(6-11-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,13)/b12-10+
InChIKeyKPYCBTLQFPMCTK-ZRDIBKRKSA-N
MW172.19 g/mol
LogP2.74
Rot. Bonds2

About (4-phenyl-1H-pyrazol-5-yl)diazene

(4-phenyl-1H-pyrazol-5-yl)diazene (PubChem CID 166694156) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is (4-phenyl-1H-pyrazol-5-yl)diazene.

Molecular Properties

Compound Name(4-phenyl-1H-pyrazol-5-yl)diazene
PubChem CID166694156
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name(4-phenyl-1H-pyrazol-5-yl)diazene
SMILES[H]/N=N/c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C9H8N4/c10-12-9-8(6-11-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,13)/b12-10+
InChIKeyKPYCBTLQFPMCTK-ZRDIBKRKSA-N
XLogP2.74
TPSA64.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.74
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1H-pyrazol-5-yl)diazene?
The IUPAC name of (4-phenyl-1H-pyrazol-5-yl)diazene (CID 166694156) is (4-phenyl-1H-pyrazol-5-yl)diazene.
What is the SMILES notation for (4-phenyl-1H-pyrazol-5-yl)diazene?
The canonical SMILES for (4-phenyl-1H-pyrazol-5-yl)diazene is [H]/N=N/c1[nH]ncc1-c1ccccc1.
What is the InChIKey of (4-phenyl-1H-pyrazol-5-yl)diazene?
The InChIKey is KPYCBTLQFPMCTK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C9H8N4/c10-12-9-8(6-11-13-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,13)/b12-10+.
What are the key properties of (4-phenyl-1H-pyrazol-5-yl)diazene?
(4-phenyl-1H-pyrazol-5-yl)diazene has a molecular weight of 172.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1H-pyrazol-5-yl)diazene is sourced from PubChem (CID 166694156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).