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

C9H6BrFN2 — CID 26986238

IUPAC4-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H
InChIKeyOAIFXEHOEQLJIP-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.77
Rot. Bonds1

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

4-bromo-1-(4-fluorophenyl)pyrazole (PubChem CID 26986238) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)pyrazole
PubChem CID26986238
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name4-bromo-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H
InChIKeyOAIFXEHOEQLJIP-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 4-bromo-1-(4-fluorophenyl)pyrazole?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)pyrazole (CID 26986238) is 4-bromo-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)pyrazole?
The InChIKey is OAIFXEHOEQLJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)pyrazole?
4-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 4-bromo-1-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 26986238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).