General Information of the Compound
Compound ID
CP0049482
Compound Name
N-(2,5-diphenylpyrazol-3-yl)benzamide
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Synonyms
77746-90-8
AC1N4KII
AKOS005002190
BDBM50156065
Benzamide, N-(1,3-diphenyl-1H-pyrazol-5-yl)-
CHEMBL191039
CTK2G6100
DA-03411
DTXSID00400046
FT-0732104
HMS3519K01
MCULE-3316862201
MolPort-003-805-392
N-(1,3-Diphenyl-1H-pyrazole-5-yl)benzamide
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-benzamide
N-(2,5-diphenylpyrazol-3-yl)benzamide
Oprea1_790904
SCHEMBL2482825
ZINC3185886
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Structure
Formula
C22H17N3O
Molecular Weight
339.398
Canonical SMILES
O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C22H17N3O/c26-22(18-12-6-2-7-13-18)23-21-16-20(17-10-4-1-5-11-17)24-25(21)19-14-8-3-9-15-19/h1-16H,(H,23,26)
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InChIKey
AYVLYDAJDALPHK-UHFFFAOYSA-N
Physicochemical Property
logP
4.7916
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4156919
SID: 16525059
ChEMBL ID
CHEMBL191039
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00854, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 40 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01247, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 4180 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 300 nM
Clinical Information about the Compound
Drug 1 ( N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide )
Drug Name N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor