2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C6H5BrF3N3O — CID 144506031

IUPAC2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H5BrF3N3O/c7-3-1-13(2-4(11)14)12-5(3)6(8,9)10/h1H,2H2,(H2,11,14)
InChIKeyOVIWVRKSUYLXIR-UHFFFAOYSA-N
MW272.02 g/mol
LogP1.15
Rot. Bonds2

About 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 144506031) has the molecular formula C6H5BrF3N3O and a molecular weight of 272.02 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID144506031
Molecular FormulaC6H5BrF3N3O
Molecular Weight272.02 g/mol
Exact Mass270.96
IUPAC Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C6H5BrF3N3O/c7-3-1-13(2-4(11)14)12-5(3)6(8,9)10/h1H,2H2,(H2,11,14)
InChIKeyOVIWVRKSUYLXIR-UHFFFAOYSA-N
XLogP1.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 144506031) is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is OVIWVRKSUYLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF3N3O/c7-3-1-13(2-4(11)14)12-5(3)6(8,9)10/h1H,2H2,(H2,11,14).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 272.02 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 144506031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).