General Information of the Compound
Compound ID
CP0420424
Compound Name
N-phenyl-1H-pyrazole-3-carboxamide
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Synonyms
124828-46-2
1H-Pyrazole-3-carboxylic Acid Phenylamide
1H-pyrazole-3-carboxamide, N-phenyl-
2vtl
AC1LE63W
AKOS000321787
ALBB-018739
BDBM24636
BDBM50109707
CHEMBL445420
ChemDiv2_004267
DB08135
HMS1381B21
HMS2155C18
HMS3323C02
HMS3604B14
IDI1_002982
MCULE-7079696193
MLS000519301
MolPort-001-664-649
N-phenyl-1H-pyrazole-3-carboxamide
N-phenyl-1H-pyrazole-5-carboxamide
N-phenylpyrazol-3-ylcarboxamide
SCHEMBL13373589
SCHEMBL19748
ST034406
STK926745
ZINC5286379
pyrazole amide, 15
pyrazole-5-carboxanilide
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Structure
Formula
C10H9N3O
Molecular Weight
187.202
Canonical SMILES
O=C(Nc1ccccc1)c1ccn[nH]1
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InChI
InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
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InChIKey
WMZYZYFPPQOFKY-UHFFFAOYSA-N
Physicochemical Property
logP
1.662
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 680935
SID: 56385376
ChEMBL ID
CHEMBL445420
DrugBank ID
DB08135
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: PT01052, Polyunsaturated fatty acid lipoxygenase ALOX15
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000461 L-1236
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 47 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-phenyl-1H-pyrazole-3-carboxamide )
Drug Name N-phenyl-1H-pyrazole-3-carboxamide
Target(s)
Cyclin-dependent kinase 2 (CDK2)
 Target Info 
Inhibitor