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

C16H14N4O — CID 3280573

IUPAC[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-21-14-9-7-12(8-10-14)16-15(11-17-20-16)19-18-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,20)/b19-18+
InChIKeyYLDDBXFNJPDEFG-VHEBQXMUSA-N
MW278.32 g/mol
LogP4.50
Rot. Bonds4

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

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene (PubChem CID 3280573) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
PubChem CID3280573
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1
InChIInChI=1S/C16H14N4O/c1-21-14-9-7-12(8-10-14)16-15(11-17-20-16)19-18-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,20)/b19-18+
InChIKeyYLDDBXFNJPDEFG-VHEBQXMUSA-N
XLogP4.50
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 54.50
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-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene (CID 3280573) is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene is COc1ccc(-c2[nH]ncc2/N=N/c2ccccc2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene?
The InChIKey is YLDDBXFNJPDEFG-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O/c1-21-14-9-7-12(8-10-14)16-15(11-17-20-16)19-18-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,20)/b19-18+.
What are the key properties of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene?
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene has a molecular weight of 278.32 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene is sourced from PubChem (CID 3280573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).