2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C12H9F5N4O — CID 91646754

IUPAC2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C(F)(F)c1ccccn1
InChIInChI=1S/C12H9F5N4O/c13-11(14,15)7-21-6-8(5-19-21)20-10(22)12(16,17)9-3-1-2-4-18-9/h1-6H,7H2,(H,20,22)
InChIKeyLULTWYAUUYYTNL-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.57
Rot. Bonds4

About 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 91646754) has the molecular formula C12H9F5N4O and a molecular weight of 320.22 g/mol. Its IUPAC name is 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID91646754
Molecular FormulaC12H9F5N4O
Molecular Weight320.22 g/mol
Exact Mass320.07
IUPAC Name2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C(F)(F)c1ccccn1
InChIInChI=1S/C12H9F5N4O/c13-11(14,15)7-21-6-8(5-19-21)20-10(22)12(16,17)9-3-1-2-4-18-9/h1-6H,7H2,(H,20,22)
InChIKeyLULTWYAUUYYTNL-UHFFFAOYSA-N
XLogP2.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-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-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 91646754) is 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is O=C(Nc1cnn(CC(F)(F)F)c1)C(F)(F)c1ccccn1.
What is the InChIKey of 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is LULTWYAUUYYTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N4O/c13-11(14,15)7-21-6-8(5-19-21)20-10(22)12(16,17)9-3-1-2-4-18-9/h1-6H,7H2,(H,20,22).
What are the key properties of 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 320.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyridin-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 91646754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).