5-Amino-N-[2-({[(2,6-dibromophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

HCID 59487512
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1c(C(=O)NCC(O)(CNC(=O)c2c(Br)cccc2Br)C(F)(F)F)cnn1-c1ccc(F)cc1
InChIKey
NBWSJZAPVCXBQO-UHFFFAOYSA-N
Molecular formula
C21H17Br2F4N5O3
Average molar mass
623.2 g/mol
Monoisotopic mass
620.96343

Names & identifiers

Preferred name
5-Amino-N-[2-({[(2,6-dibromophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
IUPAC
5-amino-N-[2-[[(2,6-dibromobenzoyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

Names & synonyms

5-Amino-N-[2-({[(2,6-dibromophenyl)carbonyl]amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamideSCHEMBL3373421

Database identifiers

PubChem CID
59487512

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
122 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

Loading…