General Information of the Compound
Compound ID
CP0524778
Compound Name
4-(1-phenylpyrazol-4-yl)pyridine
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Structure
Formula
C14H11N3
Molecular Weight
221.263
Canonical SMILES
c1nn(cc1-c1ccncc1)-c1ccccc1
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InChI
InChI=1S/C14H11N3/c1-2-4-14(5-3-1)17-11-13(10-16-17)12-6-8-15-9-7-12/h1-11H
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InChIKey
ZBOOGSGVWAYDMC-UHFFFAOYSA-N
Physicochemical Property
logP
2.9343
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 4657221
ChEMBL ID
CHEMBL2023635
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
EC50 > 10000 nM
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