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

C10H12BrF3N2 — CID 66438820

IUPAC4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CBr)cnn1C1CCCC1
InChIInChI=1S/C10H12BrF3N2/c11-5-7-6-15-16(8-3-1-2-4-8)9(7)10(12,13)14/h6,8H,1-5H2
InChIKeyMMCZNOWFXNOFMI-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.91
Rot. Bonds2

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

4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole (PubChem CID 66438820) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
PubChem CID66438820
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1c(CBr)cnn1C1CCCC1
InChIInChI=1S/C10H12BrF3N2/c11-5-7-6-15-16(8-3-1-2-4-8)9(7)10(12,13)14/h6,8H,1-5H2
InChIKeyMMCZNOWFXNOFMI-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-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-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole (CID 66438820) is 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1c(CBr)cnn1C1CCCC1.
What is the InChIKey of 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
The InChIKey is MMCZNOWFXNOFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c11-5-7-6-15-16(8-3-1-2-4-8)9(7)10(12,13)14/h6,8H,1-5H2.
What are the key properties of 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole?
4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole has a molecular weight of 297.12 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66438820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).