[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene

C14H12N4O — CID 3301257

IUPAC[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene
SMILESCc1cccc(/N=N/c2cn[nH]c2-c2ccco2)c1
InChIInChI=1S/C14H12N4O/c1-10-4-2-5-11(8-10)16-17-12-9-15-18-14(12)13-6-3-7-19-13/h2-9H,1H3,(H,15,18)/b17-16+
InChIKeyLUEQARWVQDBAKP-WUKNDPDISA-N
MW252.28 g/mol
LogP4.39
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene

[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene (PubChem CID 3301257) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene
PubChem CID3301257
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene
SMILESCc1cccc(/N=N/c2cn[nH]c2-c2ccco2)c1
InChIInChI=1S/C14H12N4O/c1-10-4-2-5-11(8-10)16-17-12-9-15-18-14(12)13-6-3-7-19-13/h2-9H,1H3,(H,15,18)/b17-16+
InChIKeyLUEQARWVQDBAKP-WUKNDPDISA-N
XLogP4.39
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
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 [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene (CID 3301257) is [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene is Cc1cccc(/N=N/c2cn[nH]c2-c2ccco2)c1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene?
The InChIKey is LUEQARWVQDBAKP-WUKNDPDISA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-4-2-5-11(8-10)16-17-12-9-15-18-14(12)13-6-3-7-19-13/h2-9H,1H3,(H,15,18)/b17-16+.
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene?
[5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene has a molecular weight of 252.28 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-4-yl]-(3-methylphenyl)diazene is sourced from PubChem (CID 3301257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).