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

C9H6BrFN2 — CID 22031306

IUPAC4-bromo-5-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13)
InChIKeyAZTCXPPINUUHIJ-UHFFFAOYSA-N
MW241.06 g/mol
LogP2.98
Rot. Bonds1

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

4-bromo-5-(4-fluorophenyl)-1H-pyrazole (PubChem CID 22031306) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-1H-pyrazole
PubChem CID22031306
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name4-bromo-5-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2Br)cc1
InChIInChI=1S/C9H6BrFN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13)
InChIKeyAZTCXPPINUUHIJ-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-1H-pyrazole (CID 22031306) is 4-bromo-5-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2[nH]ncc2Br)cc1.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is AZTCXPPINUUHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2/c10-8-5-12-13-9(8)6-1-3-7(11)4-2-6/h1-5H,(H,12,13).
What are the key properties of 4-bromo-5-(4-fluorophenyl)-1H-pyrazole?
4-bromo-5-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 241.06 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 22031306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).