2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C7H6Br2F3N3O — CID 114692532

IUPAC2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(Br)cc1Br)NCC(F)(F)F
InChIInChI=1S/C7H6Br2F3N3O/c8-4-1-5(9)15(14-4)2-6(16)13-3-7(10,11)12/h1H,2-3H2,(H,13,16)
InChIKeyXKRGLZWODQDXDF-UHFFFAOYSA-N
MW364.95 g/mol
LogP2.09
Rot. Bonds3

About 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114692532) has the molecular formula C7H6Br2F3N3O and a molecular weight of 364.95 g/mol. Its IUPAC name is 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114692532
Molecular FormulaC7H6Br2F3N3O
Molecular Weight364.95 g/mol
Exact Mass362.88
IUPAC Name2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(Br)cc1Br)NCC(F)(F)F
InChIInChI=1S/C7H6Br2F3N3O/c8-4-1-5(9)15(14-4)2-6(16)13-3-7(10,11)12/h1H,2-3H2,(H,13,16)
InChIKeyXKRGLZWODQDXDF-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.95
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 114692532) is 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nc(Br)cc1Br)NCC(F)(F)F.
What is the InChIKey of 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XKRGLZWODQDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F3N3O/c8-4-1-5(9)15(14-4)2-6(16)13-3-7(10,11)12/h1H,2-3H2,(H,13,16).
What are the key properties of 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 364.95 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromopyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114692532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).