3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole

C23H16FN3O2 — CID 5344754

IUPAC3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FN3O2/c24-20-12-10-18(11-13-20)23-19(16-26(25-23)21-4-2-1-3-5-21)9-6-17-7-14-22(15-8-17)27(28)29/h1-16H/b9-6+
InChIKeyODNYJUAMNUTNCF-RMKNXTFCSA-N
MW385.40 g/mol
LogP5.76
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole

3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole (PubChem CID 5344754) has the molecular formula C23H16FN3O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole
PubChem CID5344754
Molecular FormulaC23H16FN3O2
Molecular Weight385.40 g/mol
Exact Mass385.12
IUPAC Name3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H16FN3O2/c24-20-12-10-18(11-13-20)23-19(16-26(25-23)21-4-2-1-3-5-21)9-6-17-7-14-22(15-8-17)27(28)29/h1-16H/b9-6+
InChIKeyODNYJUAMNUTNCF-RMKNXTFCSA-N
XLogP5.76
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole (CID 5344754) is 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole is O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole?
The InChIKey is ODNYJUAMNUTNCF-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H16FN3O2/c24-20-12-10-18(11-13-20)23-19(16-26(25-23)21-4-2-1-3-5-21)9-6-17-7-14-22(15-8-17)27(28)29/h1-16H/b9-6+.
What are the key properties of 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole?
3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole has a molecular weight of 385.40 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-1-phenylpyrazole is sourced from PubChem (CID 5344754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).