4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole

C9H10BrF3N2 — CID 72698457

IUPAC4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(C2CCCC2)cc1Br
InChIInChI=1S/C9H10BrF3N2/c10-7-5-15(6-3-1-2-4-6)14-8(7)9(11,12)13/h5-6H,1-4H2
InChIKeyZUEJPPJFVKAOAO-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.78
Rot. Bonds1

About 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole

4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole (PubChem CID 72698457) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
PubChem CID72698457
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1nn(C2CCCC2)cc1Br
InChIInChI=1S/C9H10BrF3N2/c10-7-5-15(6-3-1-2-4-6)14-8(7)9(11,12)13/h5-6H,1-4H2
InChIKeyZUEJPPJFVKAOAO-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole (CID 72698457) is 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1nn(C2CCCC2)cc1Br.
What is the InChIKey of 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZUEJPPJFVKAOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c10-7-5-15(6-3-1-2-4-6)14-8(7)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole?
4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole has a molecular weight of 283.09 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 72698457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).