2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C8H9F4N3O — CID 103856370

IUPAC2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1cn[nH]c1
InChIInChI=1S/C8H9F4N3O/c1-4(5-2-13-14-3-5)15-7(16)8(11,12)6(9)10/h2-4,6H,1H3,(H,13,14)(H,15,16)
InChIKeyACSUCJYCGAECNM-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.49
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856370) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856370
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)F)c1cn[nH]c1
InChIInChI=1S/C8H9F4N3O/c1-4(5-2-13-14-3-5)15-7(16)8(11,12)6(9)10/h2-4,6H,1H3,(H,13,14)(H,15,16)
InChIKeyACSUCJYCGAECNM-UHFFFAOYSA-N
XLogP1.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide 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 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856370) is 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)C(F)(F)C(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is ACSUCJYCGAECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-4(5-2-13-14-3-5)15-7(16)8(11,12)6(9)10/h2-4,6H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 239.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).