4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole

C7H8BrF3N2 — CID 118357694

IUPAC4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C7H8BrF3N2/c1-3-13-4(2)5(8)6(12-13)7(9,10)11/h3H2,1-2H3
InChIKeyZJVFJRFRCRUMAN-UHFFFAOYSA-N
MW257.05 g/mol
LogP2.99
Rot. Bonds1

About 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole

4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357694) has the molecular formula C7H8BrF3N2 and a molecular weight of 257.05 g/mol. Its IUPAC name is 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
PubChem CID118357694
Molecular FormulaC7H8BrF3N2
Molecular Weight257.05 g/mol
Exact Mass255.98
IUPAC Name4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(Br)c1C
InChIInChI=1S/C7H8BrF3N2/c1-3-13-4(2)5(8)6(12-13)7(9,10)11/h3H2,1-2H3
InChIKeyZJVFJRFRCRUMAN-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-1-ethyl-5-methyl-3-(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-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole (CID 118357694) is 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)c(Br)c1C.
What is the InChIKey of 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZJVFJRFRCRUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N2/c1-3-13-4(2)5(8)6(12-13)7(9,10)11/h3H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole?
4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 257.05 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-5-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).