1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (3-tert-butyl-2-vinylphenyl)amide

HCID 11617265
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Basic information

Standard SMILES
C=Cc1c(NC(=O)c2cn(C)nc2C(F)(F)F)cccc1C(C)(C)C
InChIKey
JQXLCPDJSWKTHV-UHFFFAOYSA-N
Molecular formula
C18H20F3N3O
Average molar mass
351.4 g/mol

Names & identifiers

Preferred name
1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (3-tert-butyl-2-vinylphenyl)amide
IUPAC
N-(3-tert-butyl-2-ethenylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

Names & synonyms

1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (3-tert-butyl-2-vinylphenyl)amideSCHEMBL370538

Database identifiers

PubChem CID
11617265

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
46.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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