5-(4-fluorophenyl)-3-phenyl-1H-pyrazole

C15H11FN2 — CID 11557742

IUPAC5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11FN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
InChIKeyQPKRCAXVPMCUDT-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.88
Rot. Bonds2

About 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole

5-(4-fluorophenyl)-3-phenyl-1H-pyrazole (PubChem CID 11557742) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
PubChem CID11557742
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11FN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
InChIKeyQPKRCAXVPMCUDT-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole (CID 11557742) is 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole is Fc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole?
The InChIKey is QPKRCAXVPMCUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18).
What are the key properties of 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole?
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole has a molecular weight of 238.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 11557742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).