2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide

C5H3F3IN3O — CID 143619535

IUPAC2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide
SMILESO=C(Nc1ccnn1I)C(F)(F)F
InChIInChI=1S/C5H3F3IN3O/c6-5(7,8)4(13)11-3-1-2-10-12(3)9/h1-2H,(H,11,13)
InChIKeyPCWXXPAEAZLJMB-UHFFFAOYSA-N
MW305.00 g/mol
LogP1.58
Rot. Bonds1

About 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide

2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide (PubChem CID 143619535) has the molecular formula C5H3F3IN3O and a molecular weight of 305.00 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide
PubChem CID143619535
Molecular FormulaC5H3F3IN3O
Molecular Weight305.00 g/mol
Exact Mass304.93
IUPAC Name2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide
SMILESO=C(Nc1ccnn1I)C(F)(F)F
InChIInChI=1S/C5H3F3IN3O/c6-5(7,8)4(13)11-3-1-2-10-12(3)9/h1-2H,(H,11,13)
InChIKeyPCWXXPAEAZLJMB-UHFFFAOYSA-N
XLogP1.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide (CID 143619535) is 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide is O=C(Nc1ccnn1I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide?
The InChIKey is PCWXXPAEAZLJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3IN3O/c6-5(7,8)4(13)11-3-1-2-10-12(3)9/h1-2H,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide has a molecular weight of 305.00 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-iodopyrazol-3-yl)acetamide is sourced from PubChem (CID 143619535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).