2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide

C8H8F5N3O2 — CID 114256507

IUPAC2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H8F5N3O2/c1-16-5(18-2)3-4(15-16)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17)
InChIKeyVQQPXSJNYRAJGX-UHFFFAOYSA-N
MW273.16 g/mol
LogP1.56
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide

2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide (PubChem CID 114256507) has the molecular formula C8H8F5N3O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
PubChem CID114256507
Molecular FormulaC8H8F5N3O2
Molecular Weight273.16 g/mol
Exact Mass273.05
IUPAC Name2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H8F5N3O2/c1-16-5(18-2)3-4(15-16)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17)
InChIKeyVQQPXSJNYRAJGX-UHFFFAOYSA-N
XLogP1.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide (CID 114256507) is 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide is COc1cc(NC(=O)C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
The InChIKey is VQQPXSJNYRAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O2/c1-16-5(18-2)3-4(15-16)14-6(17)7(9,10)8(11,12)13/h3H,1-2H3,(H,14,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide has a molecular weight of 273.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(5-methoxy-1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 114256507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).