N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H9F4N3O — CID 9416216

IUPACN-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(F)cc1
InChIInChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)17-11(20)7-19-6-5-10(18-19)12(14,15)16/h1-6H,7H2,(H,17,20)
InChIKeyKNRIYMXSSATXDE-UHFFFAOYSA-N
MW287.22 g/mol
LogP2.68
Rot. Bonds3

About N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 9416216) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID9416216
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC NameN-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(F)cc1
InChIInChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)17-11(20)7-19-6-5-10(18-19)12(14,15)16/h1-6H,7H2,(H,17,20)
InChIKeyKNRIYMXSSATXDE-UHFFFAOYSA-N
XLogP2.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 9416216) is N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is KNRIYMXSSATXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c13-8-1-3-9(4-2-8)17-11(20)7-19-6-5-10(18-19)12(14,15)16/h1-6H,7H2,(H,17,20).
What are the key properties of N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 287.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 9416216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).