General Information of the Compound
Compound ID
CP0159176
Compound Name
N-(2,5-diphenylpyrazol-3-yl)-4-methylbenzamide
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Structure
Formula
C23H19N3O
Molecular Weight
353.425
Canonical SMILES
Cc1ccc(cc1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C23H19N3O/c1-17-12-14-19(15-13-17)23(27)24-22-16-21(18-8-4-2-5-9-18)25-26(22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27)
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InChIKey
IQSIXTDPSJCEFA-UHFFFAOYSA-N
Physicochemical Property
logP
5.10002
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
46.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 11462332
SID: 16562206
ChEMBL ID
CHEMBL365409
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 30 nM
   TI
   LI
   LO
   TS
Protein ID: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 780 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 40 nM