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2'-Fluoro-5-(2-isopropyl-2H-pyrazol-3-yl)-4'-methyl-biphenyl-3-carboxylic acid (2-hydroxy-1-methyl-ethyl)-amide

HCID 57770677
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2cc(C(=O)NC(C)CO)cc(-c3ccnn3C(C)C)c2)c(F)c1
InChIKey
RLRZONXAHOSEEG-UHFFFAOYSA-N
Molecular formula
C23H26FN3O2
Average molar mass
395.5 g/mol

Names & identifiers

Preferred name
2'-Fluoro-5-(2-isopropyl-2H-pyrazol-3-yl)-4'-methyl-biphenyl-3-carboxylic acid (2-hydroxy-1-methyl-ethyl)-amide
IUPAC
3-(2-fluoro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)-5-(2-propan-2-ylpyrazol-3-yl)benzamide

Names & synonyms

SCHEMBL13774516RLRZONXAHOSEEG-UHFFFAOYSA-N2'-Fluoro-5-(2-isopropyl-2H-pyrazol-3-yl)-4'-methyl-biphenyl-3-carboxylic acid (2-hydroxy-1-methyl-ethyl)-amide

Database identifiers

PubChem CID
57770677

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
67.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
546

Related reactions

2 records
New reaction record
HRID 1568308 reaction equation
HRID 1568308As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2091821 reaction equation
HRID 2091821As productuspto-grants-2013_05

Compound notes

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