2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide

C13H11BrF3N3O2 — CID 3655388

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11BrF3N3O2/c1-7-11(14)12(13(15,16)17)19-20(7)6-10(22)18-8-3-2-4-9(21)5-8/h2-5,21H,6H2,1H3,(H,18,22)
InChIKeyUVJNLRARWFZPJZ-UHFFFAOYSA-N
MW378.15 g/mol
LogP3.32
Rot. Bonds3

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 3655388) has the molecular formula C13H11BrF3N3O2 and a molecular weight of 378.15 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID3655388
Molecular FormulaC13H11BrF3N3O2
Molecular Weight378.15 g/mol
Exact Mass377.00
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H11BrF3N3O2/c1-7-11(14)12(13(15,16)17)19-20(7)6-10(22)18-8-3-2-4-9(21)5-8/h2-5,21H,6H2,1H3,(H,18,22)
InChIKeyUVJNLRARWFZPJZ-UHFFFAOYSA-N
XLogP3.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide 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 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 3655388) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is UVJNLRARWFZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O2/c1-7-11(14)12(13(15,16)17)19-20(7)6-10(22)18-8-3-2-4-9(21)5-8/h2-5,21H,6H2,1H3,(H,18,22).
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 378.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 3655388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).