4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole

C10H6BrF3N2 — CID 10968260

IUPAC4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1-c1ccccc1
InChIInChI=1S/C10H6BrF3N2/c11-8-6-15-16(9(8)10(12,13)14)7-4-2-1-3-5-7/h1-6H
InChIKeyBBNIPZYHEDWGPH-UHFFFAOYSA-N
MW291.07 g/mol
LogP3.65
Rot. Bonds1

About 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole

4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 10968260) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID10968260
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1-c1ccccc1
InChIInChI=1S/C10H6BrF3N2/c11-8-6-15-16(9(8)10(12,13)14)7-4-2-1-3-5-7/h1-6H
InChIKeyBBNIPZYHEDWGPH-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole (CID 10968260) is 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(Br)cnn1-c1ccccc1.
What is the InChIKey of 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is BBNIPZYHEDWGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-8-6-15-16(9(8)10(12,13)14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole?
4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 291.07 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10968260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).