2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C6H6F3N3O — CID 2809216

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-1-2-12(11-4)3-5(10)13/h1-2H,3H2,(H2,10,13)
InChIKeyJFFGSRXGWHLWAK-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.39
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2809216) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2809216
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)4-1-2-12(11-4)3-5(10)13/h1-2H,3H2,(H2,10,13)
InChIKeyJFFGSRXGWHLWAK-UHFFFAOYSA-N
XLogP0.39
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
4-amino-4-oxo-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43357075
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
propan-2-yl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 60643569
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
N-phenylmethoxy-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 60668203
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2809216) is 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JFFGSRXGWHLWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)4-1-2-12(11-4)3-5(10)13/h1-2H,3H2,(H2,10,13).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 193.13 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2809216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).