2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide

C12H9F4N3O — CID 103732765

IUPAC2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide
SMILESO=C(Nc1ccccc1-n1cccn1)C(F)(F)C(F)F
InChIInChI=1S/C12H9F4N3O/c13-10(14)12(15,16)11(20)18-8-4-1-2-5-9(8)19-7-3-6-17-19/h1-7,10H,(H,18,20)
InChIKeyWSMCIYQVXOBPTJ-UHFFFAOYSA-N
MW287.22 g/mol
LogP2.71
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide

2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide (PubChem CID 103732765) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide
PubChem CID103732765
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide
SMILESO=C(Nc1ccccc1-n1cccn1)C(F)(F)C(F)F
InChIInChI=1S/C12H9F4N3O/c13-10(14)12(15,16)11(20)18-8-4-1-2-5-9(8)19-7-3-6-17-19/h1-7,10H,(H,18,20)
InChIKeyWSMCIYQVXOBPTJ-UHFFFAOYSA-N
XLogP2.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
CID 103737699
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
1-(2-pyrazol-1-ylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47040921
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide (CID 103732765) is 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide is O=C(Nc1ccccc1-n1cccn1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide?
The InChIKey is WSMCIYQVXOBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c13-10(14)12(15,16)11(20)18-8-4-1-2-5-9(8)19-7-3-6-17-19/h1-7,10H,(H,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide has a molecular weight of 287.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 103732765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).