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

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Related Compounds

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide
CID 1046560
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1101548
2-[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-(3-hydroxy-5-nitrophenyl)acetamide
CID 1100803
N-(3-hydroxy-5-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 867031
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1100793
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2258053
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(3-hydroxyphenyl)-piperazin-1-yl]-ethanone
CID 21071082
N-(2-fluoro-5-hydroxyphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 57505434
1-(difluoromethyl)-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19264149
N-(3-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267836
4-bromo-N-(2-hydroxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268134
4-bromo-N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268184

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).