General Information of the Compound
Compound ID
CP0077664
Compound Name
5-methyl-3-oxo-N,2-diphenyl-1H-pyrazole-4-carboxamide
    Show/Hide
Structure
Formula
C17H15N3O2
Molecular Weight
293.326
Canonical SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1
    Show/Hide
InChI
InChI=1S/C17H15N3O2/c1-12-15(16(21)18-13-8-4-2-5-9-13)17(22)20(19-12)14-10-6-3-7-11-14/h2-11,19H,1H3,(H,18,21)
    Show/Hide
InChIKey
KQFQBELMHXWCIT-UHFFFAOYSA-N
Physicochemical Property
logP
2.72632
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
66.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2384714
SID: 56414350
ChEMBL ID
CHEMBL3145098
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: PT04036, Natural resistance-associated macrophage protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS