4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole

C8H10BrFN2O — CID 151878851

IUPAC4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1nn(C2CCCCO2)cc1Br
InChIInChI=1S/C8H10BrFN2O/c9-6-5-12(11-8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2
InChIKeySOGTYIAWMZXPBY-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.48
Rot. Bonds1

About 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole

4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole (PubChem CID 151878851) has the molecular formula C8H10BrFN2O and a molecular weight of 249.08 g/mol. Its IUPAC name is 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole
PubChem CID151878851
Molecular FormulaC8H10BrFN2O
Molecular Weight249.08 g/mol
Exact Mass248.00
IUPAC Name4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole
SMILESFc1nn(C2CCCCO2)cc1Br
InChIInChI=1S/C8H10BrFN2O/c9-6-5-12(11-8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2
InChIKeySOGTYIAWMZXPBY-UHFFFAOYSA-N
XLogP2.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-oxan-2-yl]pyrazole
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4-Fluoro-1-tetrahydropyran-2-yl-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole (CID 151878851) is 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole is Fc1nn(C2CCCCO2)cc1Br.
What is the InChIKey of 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole?
The InChIKey is SOGTYIAWMZXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O/c9-6-5-12(11-8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2.
What are the key properties of 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole?
4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole has a molecular weight of 249.08 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 151878851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).