5-bromo-4-fluoro-1H-pyrazole

C3H2BrFN2 — CID 90319101

IUPAC5-bromo-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Br
InChIInChI=1S/C3H2BrFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyGQHRGRHDKCJTKG-UHFFFAOYSA-N
MW164.97 g/mol
LogP1.31
Rot. Bonds

About 5-bromo-4-fluoro-1H-pyrazole

5-bromo-4-fluoro-1H-pyrazole (PubChem CID 90319101) has the molecular formula C3H2BrFN2 and a molecular weight of 164.97 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-bromo-4-fluoro-1H-pyrazole
PubChem CID90319101
Molecular FormulaC3H2BrFN2
Molecular Weight164.97 g/mol
Exact Mass163.94
IUPAC Name5-bromo-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Br
InChIInChI=1S/C3H2BrFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyGQHRGRHDKCJTKG-UHFFFAOYSA-N
XLogP1.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-pyrazole?
The IUPAC name of 5-bromo-4-fluoro-1H-pyrazole (CID 90319101) is 5-bromo-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-bromo-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-bromo-4-fluoro-1H-pyrazole is Fc1cn[nH]c1Br.
What is the InChIKey of 5-bromo-4-fluoro-1H-pyrazole?
The InChIKey is GQHRGRHDKCJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrFN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7).
What are the key properties of 5-bromo-4-fluoro-1H-pyrazole?
5-bromo-4-fluoro-1H-pyrazole has a molecular weight of 164.97 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-1H-pyrazole is sourced from PubChem (CID 90319101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).