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

C9H10BrF3N2 — CID 61265125

IUPAC4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1C1CCCC1
InChIInChI=1S/C9H10BrF3N2/c10-7-5-14-15(6-3-1-2-4-6)8(7)9(11,12)13/h5-6H,1-4H2
InChIKeyIJFLEXNIUIVFGD-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.78
Rot. Bonds1

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

4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole (PubChem CID 61265125) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole
PubChem CID61265125
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(Br)cnn1C1CCCC1
InChIInChI=1S/C9H10BrF3N2/c10-7-5-14-15(6-3-1-2-4-6)8(7)9(11,12)13/h5-6H,1-4H2
InChIKeyIJFLEXNIUIVFGD-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

Analyze 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole (CID 61265125) is 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(Br)cnn1C1CCCC1.
What is the InChIKey of 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The InChIKey is IJFLEXNIUIVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c10-7-5-14-15(6-3-1-2-4-6)8(7)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 4-bromo-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
4-bromo-1-cyclopentyl-5-(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-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 61265125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).