N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H5F8N3O — CID 19530808

IUPACN-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F8N3O/c13-6-7(14)9(16)11(10(17)8(6)15)21-5(24)3-23-2-1-4(22-23)12(18,19)20/h1-2H,3H2,(H,21,24)
InChIKeyHDONRIDMHRDCRY-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.24
Rot. Bonds3

About N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530808) has the molecular formula C12H5F8N3O and a molecular weight of 359.18 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530808
Molecular FormulaC12H5F8N3O
Molecular Weight359.18 g/mol
Exact Mass359.03
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H5F8N3O/c13-6-7(14)9(16)11(10(17)8(6)15)21-5(24)3-23-2-1-4(22-23)12(18,19)20/h1-2H,3H2,(H,21,24)
InChIKeyHDONRIDMHRDCRY-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.24
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 N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530808) is N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HDONRIDMHRDCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F8N3O/c13-6-7(14)9(16)11(10(17)8(6)15)21-5(24)3-23-2-1-4(22-23)12(18,19)20/h1-2H,3H2,(H,21,24).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 359.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).