2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide

C12H10F3N3O2 — CID 154493622

IUPAC2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide
SMILESCC1=NN(NC(=O)C(F)(F)F)C(=O)C1c1ccccc1
InChIInChI=1S/C12H10F3N3O2/c1-7-9(8-5-3-2-4-6-8)10(19)18(16-7)17-11(20)12(13,14)15/h2-6,9H,1H3,(H,17,20)
InChIKeyIITNBXZRIWNQCQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.58
Rot. Bonds2

About 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide

2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide (PubChem CID 154493622) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide
PubChem CID154493622
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide
SMILESCC1=NN(NC(=O)C(F)(F)F)C(=O)C1c1ccccc1
InChIInChI=1S/C12H10F3N3O2/c1-7-9(8-5-3-2-4-6-8)10(19)18(16-7)17-11(20)12(13,14)15/h2-6,9H,1H3,(H,17,20)
InChIKeyIITNBXZRIWNQCQ-UHFFFAOYSA-N
XLogP1.58
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.58
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-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide (CID 154493622) is 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide is CC1=NN(NC(=O)C(F)(F)F)C(=O)C1c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide?
The InChIKey is IITNBXZRIWNQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-9(8-5-3-2-4-6-8)10(19)18(16-7)17-11(20)12(13,14)15/h2-6,9H,1H3,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide?
2,2,2-trifluoro-N-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide has a molecular weight of 285.23 g/mol, XLogP of 1.58, 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-(3-methyl-5-oxo-4-phenyl-4H-pyrazol-1-yl)acetamide is sourced from PubChem (CID 154493622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).