2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide

C6H6F3N3O — CID 62646800

IUPAC2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)11-5(13)6(7,8)9/h2-3H,1H3,(H,11,13)
InChIKeyZAGHIRSJCBHYRF-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.92
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide

2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 62646800) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID62646800
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)11-5(13)6(7,8)9/h2-3H,1H3,(H,11,13)
InChIKeyZAGHIRSJCBHYRF-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide (CID 62646800) is 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)C(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZAGHIRSJCBHYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-12-3-4(2-10-12)11-5(13)6(7,8)9/h2-3H,1H3,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide?
2,2,2-trifluoro-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 193.13 g/mol, XLogP of 0.92, 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-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 62646800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).