[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene

C17H15FN4 — CID 155817105

IUPAC[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C17H15FN4/c1-12-17(20-19-15-6-4-3-5-7-15)13(2)22(21-12)16-10-8-14(18)9-11-16/h3-11H,1-2H3/b20-19+
InChIKeyCHQOIOJMRDNHAQ-FMQUCBEESA-N
MW294.33 g/mol
LogP5.04
Rot. Bonds3

About [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene (PubChem CID 155817105) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene
PubChem CID155817105
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1/N=N/c1ccccc1
InChIInChI=1S/C17H15FN4/c1-12-17(20-19-15-6-4-3-5-7-15)13(2)22(21-12)16-10-8-14(18)9-11-16/h3-11H,1-2H3/b20-19+
InChIKeyCHQOIOJMRDNHAQ-FMQUCBEESA-N
XLogP5.04
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.33
LogP ≤ 55.04
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-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene?
The IUPAC name of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene (CID 155817105) is [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene is Cc1nn(-c2ccc(F)cc2)c(C)c1/N=N/c1ccccc1.
What is the InChIKey of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene?
The InChIKey is CHQOIOJMRDNHAQ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15FN4/c1-12-17(20-19-15-6-4-3-5-7-15)13(2)22(21-12)16-10-8-14(18)9-11-16/h3-11H,1-2H3/b20-19+.
What are the key properties of [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene?
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene has a molecular weight of 294.33 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-phenyldiazene is sourced from PubChem (CID 155817105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).