[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene

C15H11ClN4 — CID 3669408

IUPAC[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESClc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H11ClN4/c16-12-8-6-11(7-9-12)15-14(10-17-20-15)19-18-13-4-2-1-3-5-13/h1-10H,(H,17,20)/b19-18+
InChIKeyFEYKZYKEKLVSGU-VHEBQXMUSA-N
MW282.73 g/mol
LogP5.15
Rot. Bonds3

About [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene (PubChem CID 3669408) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene
PubChem CID3669408
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESClc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H11ClN4/c16-12-8-6-11(7-9-12)15-14(10-17-20-15)19-18-13-4-2-1-3-5-13/h1-10H,(H,17,20)/b19-18+
InChIKeyFEYKZYKEKLVSGU-VHEBQXMUSA-N
XLogP5.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.73
LogP ≤ 55.15
H-Bond Donors ≤ 51
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 [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene (CID 3669408) is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene is Clc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The InChIKey is FEYKZYKEKLVSGU-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-12-8-6-11(7-9-12)15-14(10-17-20-15)19-18-13-4-2-1-3-5-13/h1-10H,(H,17,20)/b19-18+.
What are the key properties of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene?
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene has a molecular weight of 282.73 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-phenyldiazene is sourced from PubChem (CID 3669408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).