2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C12H10F3N3O — CID 716369

IUPAC2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c1-8-7-10(16-11(19)12(13,14)15)18(17-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19)
InChIKeyOBUMRRCRWGFZFD-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.68
Rot. Bonds2

About 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 716369) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID716369
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)C(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C12H10F3N3O/c1-8-7-10(16-11(19)12(13,14)15)18(17-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19)
InChIKeyOBUMRRCRWGFZFD-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.68
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-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 716369) is 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)C(F)(F)F)n(-c2ccccc2)n1.
What is the InChIKey of 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is OBUMRRCRWGFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-8-7-10(16-11(19)12(13,14)15)18(17-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,19).
What are the key properties of 2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 269.23 g/mol, XLogP of 2.68, 2 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-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 716369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).