2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide

C11H8F3N3O — CID 57024725

IUPAC2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)15-9-6-7-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,15,16,18)
InChIKeyFWOGSTZKKZGOOR-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.37
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide

2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 57024725) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID57024725
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)15-9-6-7-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,15,16,18)
InChIKeyFWOGSTZKKZGOOR-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide (CID 57024725) is 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide is O=C(Nc1ccn(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is FWOGSTZKKZGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)10(18)15-9-6-7-17(16-9)8-4-2-1-3-5-8/h1-7H,(H,15,16,18).
What are the key properties of 2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 255.20 g/mol, XLogP of 2.37, 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-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 57024725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).