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

C11H8F3N3O2 — CID 2169404

IUPAC2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)10(19)15-8-6-9(18)17(16-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16,19)
InChIKeyDYYFSIIUWVSNMG-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.42
Rot. Bonds1

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

2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 2169404) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID2169404
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)=NN1c1ccccc1
InChIInChI=1S/C11H8F3N3O2/c12-11(13,14)10(19)15-8-6-9(18)17(16-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16,19)
InChIKeyDYYFSIIUWVSNMG-UHFFFAOYSA-N
XLogP1.42
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 668302
1-(p-Aminophenyl)-3-pyrrolidino-5-pyrazolone
CID 100660
N-Cyclopentyl-N'-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)urea
CID 44420239
N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetamide
CID 788029
4-chloro-N-(5-oxo-1-phenyl(2-pyrazolin-3-yl))butanamide
CID 1594285
methyl N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamate
CID 44420234
N-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)methacrylamide
CID 76848
3-amino-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 342542
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)acetamide
CID 9555637
2-(N'-hydroxycarbamimidoyl)-N-phenylacetamide
CID 13380562
3-amino-N-(2-fluorophenyl)-3-(hydroxyimino)propanamide
CID 16762438

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 2169404) is 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is O=C1CC(NC(=O)C(F)(F)F)=NN1c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is DYYFSIIUWVSNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c12-11(13,14)10(19)15-8-6-9(18)17(16-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16,19).
What are the key properties of 2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 271.20 g/mol, XLogP of 1.42, 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-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 2169404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).