[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene

C17H24N4 — CID 132597018

IUPAC[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
SMILESCCCCC(CC)Cn1cc(/N=N/c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-3-5-9-15(4-2)13-21-14-17(12-18-21)20-19-16-10-7-6-8-11-16/h6-8,10-12,14-15H,3-5,9,13H2,1-2H3/b20-19+
InChIKeyAHRXHKBQYLXCDF-FMQUCBEESA-N
MW284.41 g/mol
LogP5.51
Rot. Bonds8

About [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene

[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene (PubChem CID 132597018) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
PubChem CID132597018
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene
SMILESCCCCC(CC)Cn1cc(/N=N/c2ccccc2)cn1
InChIInChI=1S/C17H24N4/c1-3-5-9-15(4-2)13-21-14-17(12-18-21)20-19-16-10-7-6-8-11-16/h6-8,10-12,14-15H,3-5,9,13H2,1-2H3/b20-19+
InChIKeyAHRXHKBQYLXCDF-FMQUCBEESA-N
XLogP5.51
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.41
LogP ≤ 55.51
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 [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene?
The IUPAC name of [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene (CID 132597018) is [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene is CCCCC(CC)Cn1cc(/N=N/c2ccccc2)cn1.
What is the InChIKey of [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene?
The InChIKey is AHRXHKBQYLXCDF-FMQUCBEESA-N. The full InChI is InChI=1S/C17H24N4/c1-3-5-9-15(4-2)13-21-14-17(12-18-21)20-19-16-10-7-6-8-11-16/h6-8,10-12,14-15H,3-5,9,13H2,1-2H3/b20-19+.
What are the key properties of [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene?
[1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene has a molecular weight of 284.41 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexyl)pyrazol-4-yl]-phenyldiazene is sourced from PubChem (CID 132597018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).