4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole

C15H10FN3O2 — CID 122231811

IUPAC4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2F)cc1
InChIInChI=1S/C15H10FN3O2/c16-14-10-18(12-4-2-1-3-5-12)17-15(14)11-6-8-13(9-7-11)19(20)21/h1-10H
InChIKeyLXZOOUDKGSXJLD-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.59
Rot. Bonds3

About 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole

4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole (PubChem CID 122231811) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole
PubChem CID122231811
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2F)cc1
InChIInChI=1S/C15H10FN3O2/c16-14-10-18(12-4-2-1-3-5-12)17-15(14)11-6-8-13(9-7-11)19(20)21/h1-10H
InChIKeyLXZOOUDKGSXJLD-UHFFFAOYSA-N
XLogP3.59
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole?
The IUPAC name of 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole (CID 122231811) is 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole?
The canonical SMILES for 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole is O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2F)cc1.
What is the InChIKey of 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole?
The InChIKey is LXZOOUDKGSXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-14-10-18(12-4-2-1-3-5-12)17-15(14)11-6-8-13(9-7-11)19(20)21/h1-10H.
What are the key properties of 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole?
4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole has a molecular weight of 283.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-nitrophenyl)-1-phenylpyrazole is sourced from PubChem (CID 122231811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).