[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene

C13H10N4O — CID 3803348

IUPAC[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESc1ccc(/N=N/c2cn[nH]c2-c2ccco2)cc1
InChIInChI=1S/C13H10N4O/c1-2-5-10(6-3-1)15-16-11-9-14-17-13(11)12-7-4-8-18-12/h1-9H,(H,14,17)/b16-15+
InChIKeyDJDSRWDJUBNKDU-FOCLMDBBSA-N
MW238.25 g/mol
LogP4.09
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene

[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene (PubChem CID 3803348) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene
PubChem CID3803348
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene
SMILESc1ccc(/N=N/c2cn[nH]c2-c2ccco2)cc1
InChIInChI=1S/C13H10N4O/c1-2-5-10(6-3-1)15-16-11-9-14-17-13(11)12-7-4-8-18-12/h1-9H,(H,14,17)/b16-15+
InChIKeyDJDSRWDJUBNKDU-FOCLMDBBSA-N
XLogP4.09
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.09
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]-phenyldiazene?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene (CID 3803348) is [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene is c1ccc(/N=N/c2cn[nH]c2-c2ccco2)cc1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene?
The InChIKey is DJDSRWDJUBNKDU-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H10N4O/c1-2-5-10(6-3-1)15-16-11-9-14-17-13(11)12-7-4-8-18-12/h1-9H,(H,14,17)/b16-15+.
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene?
[5-(furan-2-yl)-1H-pyrazol-4-yl]-phenyldiazene has a molecular weight of 238.25 g/mol, XLogP of 4.09, 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]-phenyldiazene is sourced from PubChem (CID 3803348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).