4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole

C8H10BrF3N2 — CID 118357731

IUPAC4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Br)c(C(F)(F)F)nn1CC
InChIInChI=1S/C8H10BrF3N2/c1-3-5-6(9)7(8(10,11)12)13-14(5)4-2/h3-4H2,1-2H3
InChIKeyZETWZHLUYDIQBA-UHFFFAOYSA-N
MW271.08 g/mol
LogP3.25
Rot. Bonds2

About 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole

4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357731) has the molecular formula C8H10BrF3N2 and a molecular weight of 271.08 g/mol. Its IUPAC name is 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole
PubChem CID118357731
Molecular FormulaC8H10BrF3N2
Molecular Weight271.08 g/mol
Exact Mass270.00
IUPAC Name4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Br)c(C(F)(F)F)nn1CC
InChIInChI=1S/C8H10BrF3N2/c1-3-5-6(9)7(8(10,11)12)13-14(5)4-2/h3-4H2,1-2H3
InChIKeyZETWZHLUYDIQBA-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole (CID 118357731) is 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole is CCc1c(Br)c(C(F)(F)F)nn1CC.
What is the InChIKey of 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZETWZHLUYDIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N2/c1-3-5-6(9)7(8(10,11)12)13-14(5)4-2/h3-4H2,1-2H3.
What are the key properties of 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole?
4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 271.08 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-diethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).