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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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).