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

C6H5F4N3O — CID 103732782

IUPAC2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(Nc1cn[nH]c1)C(F)(F)C(F)F
InChIInChI=1S/C6H5F4N3O/c7-4(8)6(9,10)5(14)13-3-1-11-12-2-3/h1-2,4H,(H,11,12)(H,13,14)
InChIKeyMMGOZWOGVOLZCC-UHFFFAOYSA-N
MW211.12 g/mol
LogP1.25
Rot. Bonds3

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

2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 103732782) has the molecular formula C6H5F4N3O and a molecular weight of 211.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide
PubChem CID103732782
Molecular FormulaC6H5F4N3O
Molecular Weight211.12 g/mol
Exact Mass211.04
IUPAC Name2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(Nc1cn[nH]c1)C(F)(F)C(F)F
InChIInChI=1S/C6H5F4N3O/c7-4(8)6(9,10)5(14)13-3-1-11-12-2-3/h1-2,4H,(H,11,12)(H,13,14)
InChIKeyMMGOZWOGVOLZCC-UHFFFAOYSA-N
XLogP1.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide (CID 103732782) is 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide is O=C(Nc1cn[nH]c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is MMGOZWOGVOLZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O/c7-4(8)6(9,10)5(14)13-3-1-11-12-2-3/h1-2,4H,(H,11,12)(H,13,14).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 211.12 g/mol, XLogP of 1.25, 3 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-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 103732782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).