4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole

C9H6BrF3N2O — CID 162677552

IUPAC4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole
SMILESFC(F)(F)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H6BrF3N2O/c10-6-3-14-15(4-6)5-7-1-2-8(16-7)9(11,12)13/h1-4H,5H2
InChIKeyMOQBIOAOMNIICK-UHFFFAOYSA-N
MW295.06 g/mol
LogP3.31
Rot. Bonds2

About 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole

4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole (PubChem CID 162677552) has the molecular formula C9H6BrF3N2O and a molecular weight of 295.06 g/mol. Its IUPAC name is 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole
PubChem CID162677552
Molecular FormulaC9H6BrF3N2O
Molecular Weight295.06 g/mol
Exact Mass293.96
IUPAC Name4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole
SMILESFC(F)(F)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H6BrF3N2O/c10-6-3-14-15(4-6)5-7-1-2-8(16-7)9(11,12)13/h1-4H,5H2
InChIKeyMOQBIOAOMNIICK-UHFFFAOYSA-N
XLogP3.31
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole?
The IUPAC name of 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole (CID 162677552) is 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole?
The canonical SMILES for 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole is FC(F)(F)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole?
The InChIKey is MOQBIOAOMNIICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2O/c10-6-3-14-15(4-6)5-7-1-2-8(16-7)9(11,12)13/h1-4H,5H2.
What are the key properties of 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole?
4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole has a molecular weight of 295.06 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazole is sourced from PubChem (CID 162677552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).