5-bromo-1-(4-fluorophenyl)pyrazole

C9H6BrFN2 — CID 71758080

IUPAC5-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-9-5-6-12-13(9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyCGSUENPUMUSDNX-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.77
Rot. Bonds1

About 5-bromo-1-(4-fluorophenyl)pyrazole

5-bromo-1-(4-fluorophenyl)pyrazole (PubChem CID 71758080) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)pyrazole
PubChem CID71758080
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name5-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-9-5-6-12-13(9)8-3-1-7(11)2-4-8/h1-6H
InChIKeyCGSUENPUMUSDNX-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazole (CID 71758080) is 5-bromo-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2nccc2Br)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)pyrazole?
The InChIKey is CGSUENPUMUSDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-9-5-6-12-13(9)8-3-1-7(11)2-4-8/h1-6H.
What are the key properties of 5-bromo-1-(4-fluorophenyl)pyrazole?
5-bromo-1-(4-fluorophenyl)pyrazole has a molecular weight of 241.06 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 71758080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).