2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide

C14H13F4N3O — CID 126842063

IUPAC2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)c(F)c1F)n1cccn1
InChIInChI=1S/C14H13F4N3O/c1-14(2,21-5-3-4-20-21)7-19-13(22)8-6-9(15)11(17)12(18)10(8)16/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyTYMKXFPBKITKKG-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.60
Rot. Bonds4

About 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide

2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide (PubChem CID 126842063) has the molecular formula C14H13F4N3O and a molecular weight of 315.27 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide
PubChem CID126842063
Molecular FormulaC14H13F4N3O
Molecular Weight315.27 g/mol
Exact Mass315.10
IUPAC Name2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(F)c(F)c(F)c1F)n1cccn1
InChIInChI=1S/C14H13F4N3O/c1-14(2,21-5-3-4-20-21)7-19-13(22)8-6-9(15)11(17)12(18)10(8)16/h3-6H,7H2,1-2H3,(H,19,22)
InChIKeyTYMKXFPBKITKKG-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide (CID 126842063) is 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide is CC(C)(CNC(=O)c1cc(F)c(F)c(F)c1F)n1cccn1.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide?
The InChIKey is TYMKXFPBKITKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O/c1-14(2,21-5-3-4-20-21)7-19-13(22)8-6-9(15)11(17)12(18)10(8)16/h3-6H,7H2,1-2H3,(H,19,22).
What are the key properties of 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide?
2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide has a molecular weight of 315.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(2-methyl-2-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 126842063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).