3-bromo-1-(trifluoromethyl)pyrazole

C4H2BrF3N2 — CID 131358067

IUPAC3-bromo-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1ccc(Br)n1
InChIInChI=1S/C4H2BrF3N2/c5-3-1-2-10(9-3)4(6,7)8/h1-2H
InChIKeyIVJXBORLXJBYLF-UHFFFAOYSA-N
MW214.97 g/mol
LogP2.12
Rot. Bonds

About 3-bromo-1-(trifluoromethyl)pyrazole

3-bromo-1-(trifluoromethyl)pyrazole (PubChem CID 131358067) has the molecular formula C4H2BrF3N2 and a molecular weight of 214.97 g/mol. Its IUPAC name is 3-bromo-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-bromo-1-(trifluoromethyl)pyrazole
PubChem CID131358067
Molecular FormulaC4H2BrF3N2
Molecular Weight214.97 g/mol
Exact Mass213.94
IUPAC Name3-bromo-1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1ccc(Br)n1
InChIInChI=1S/C4H2BrF3N2/c5-3-1-2-10(9-3)4(6,7)8/h1-2H
InChIKeyIVJXBORLXJBYLF-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.97
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(trifluoromethyl)pyrazole?
The IUPAC name of 3-bromo-1-(trifluoromethyl)pyrazole (CID 131358067) is 3-bromo-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-bromo-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-bromo-1-(trifluoromethyl)pyrazole is FC(F)(F)n1ccc(Br)n1.
What is the InChIKey of 3-bromo-1-(trifluoromethyl)pyrazole?
The InChIKey is IVJXBORLXJBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF3N2/c5-3-1-2-10(9-3)4(6,7)8/h1-2H.
What are the key properties of 3-bromo-1-(trifluoromethyl)pyrazole?
3-bromo-1-(trifluoromethyl)pyrazole has a molecular weight of 214.97 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 131358067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).