General Information of the Compound
Compound ID
CP0354582
Compound Name
4-phenyl-1H-pyrazol-5-amine
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Structure
Formula
C9H9N3
Molecular Weight
159.192
Canonical SMILES
Nc1[nH]ncc1-c1ccccc1
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InChI
InChI=1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
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InChIKey
QEHKQNYBBLCFIJ-UHFFFAOYSA-N
CAS
5591-70-8
57999-06-1
Physicochemical Property
logP
1.6589
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 79703
SID: 15910832
ChEMBL ID
CHEMBL1391894
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 2909.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000518 SW48 Homo sapiens (Human)  1
1
EC50 > 25000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 25000 nM