5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole

C11H8BrF3N2 — CID 71259584

IUPAC5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H8BrF3N2/c1-17-10(4-5-16-17)8-6-7(11(13,14)15)2-3-9(8)12/h2-6H,1H3
InChIKeyYYLXZEXBQRRRAN-UHFFFAOYSA-N
MW305.10 g/mol
LogP3.87
Rot. Bonds1

About 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole

5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole (PubChem CID 71259584) has the molecular formula C11H8BrF3N2 and a molecular weight of 305.10 g/mol. Its IUPAC name is 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole
PubChem CID71259584
Molecular FormulaC11H8BrF3N2
Molecular Weight305.10 g/mol
Exact Mass303.98
IUPAC Name5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H8BrF3N2/c1-17-10(4-5-16-17)8-6-7(11(13,14)15)2-3-9(8)12/h2-6H,1H3
InChIKeyYYLXZEXBQRRRAN-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-methyl-4-phenyl-3-trifluoromethyl-1H-pyrazole
CID 2740138
1-Methyl-5-phenylpyrazole
CID 137947
3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635
3-(3-Bromophenyl)-1-methyl-1H-pyrazole
CID 22329555
4-bromo-1,3-dimethyl-5-phenyl-1H-pyrazole
CID 68935937
6-bromo-2-(difluoromethyl)-2H-indazole
CID 117618922
6-bromo-1-(difluoromethyl)-1H-indazole
CID 150080231
4-bromo-2-(difluoromethyl)-2H-indazole
CID 166076551
4-bromo-1-(difluoromethyl)-1H-indazole
CID 166076786
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134793697
1-Methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CID 59694029
3-(4-Fluorophenyl)-1-methyl-1h-pyrazole
CID 66868800

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole?
The IUPAC name of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole (CID 71259584) is 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole is Cn1nccc1-c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole?
The InChIKey is YYLXZEXBQRRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2/c1-17-10(4-5-16-17)8-6-7(11(13,14)15)2-3-9(8)12/h2-6H,1H3.
What are the key properties of 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole?
5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole has a molecular weight of 305.10 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-5-(trifluoromethyl)phenyl]-1-methylpyrazole is sourced from PubChem (CID 71259584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).