5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole

C15H9BrF2N2 — CID 134462665

IUPAC5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3Br)[nH]n2)cc1
InChIInChI=1S/C15H9BrF2N2/c16-13-7-11(18)5-6-12(13)15-8-14(19-20-15)9-1-3-10(17)4-2-9/h1-8H,(H,19,20)
InChIKeyRLJHBVGRCDSYMV-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.78
Rot. Bonds2

About 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole

5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole (PubChem CID 134462665) has the molecular formula C15H9BrF2N2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole
PubChem CID134462665
Molecular FormulaC15H9BrF2N2
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3Br)[nH]n2)cc1
InChIInChI=1S/C15H9BrF2N2/c16-13-7-11(18)5-6-12(13)15-8-14(19-20-15)9-1-3-10(17)4-2-9/h1-8H,(H,19,20)
InChIKeyRLJHBVGRCDSYMV-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole (CID 134462665) is 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2cc(-c3ccc(F)cc3Br)[nH]n2)cc1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is RLJHBVGRCDSYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2/c16-13-7-11(18)5-6-12(13)15-8-14(19-20-15)9-1-3-10(17)4-2-9/h1-8H,(H,19,20).
What are the key properties of 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole?
5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 335.15 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 134462665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).