N-acetyl-N-{3-isobutyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}-1,3,5-trimethylpyrazole-4-carboxamide

HCID 86629862
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N(C(=O)c1c(C)nn(C)c1C)c1ccc(C(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1
InChIKey
YOJBJYPLDBGGNY-UHFFFAOYSA-N
Molecular formula
C22H25F6N3O2
Average molar mass
477.4 g/mol

Names & identifiers

Preferred name
N-acetyl-N-{3-isobutyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}-1,3,5-trimethylpyrazole-4-carboxamide
IUPAC
N-acetyl-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(2-methylpropyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide

Names & synonyms

N-acetyl-N-{3-isobutyl-4-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenyl}-1,3,5-trimethylpyrazole-4-carboxamideSCHEMBL4198951

Database identifiers

PubChem CID
86629862

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
55.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

Loading…