Surinabant
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular Identity
Surinabant
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID: 9849616
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-3-pyrazolecarboxamide is a member of pyrazoles and a ring assembly.
2D Structure
Properties
C23H23BrCl2N4O
Molecular Formula
522.30
Molecular Weight
g/mol
520.0432
Exact Mass
Da
7
XLogP
Above Lipinski threshold
50.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
600
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)BrIsomeric SMILES
SMILES: CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)BrSynonyms(20)
Surinabant288104-79-0SR147778SF8R9VCB0XDTXSID20473575-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamideDTXCID00273575-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-n-(piperidin-1-yl)-1h-pyrazole-3-carboxamidesurinabantumRefChem:186827SR-147778Surinabant [INN]UNII-SF8R9VCB0XSR 147778
Data from PubChem (NCBI)
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