General Information of the Compound
Compound ID
CP0061597
Compound Name
1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine
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Synonyms
1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine
1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine
1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-pyrazol-3-amine
1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine
4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE
4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
66000-40-6
6V6JF56BXO
AC1L2IRR
BW 755C
BW-755C
BW755C
CHEMBL274642
CTK5C3353
DTXSID30216213
EINECS 266-051-8
SCHEMBL2573191
UNII-6V6JF56BXO
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Structure
Formula
C10H10F3N3
Molecular Weight
229.205
Canonical SMILES
NC1=NN(CC1)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
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InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N
CAS
66000-40-6
Physicochemical Property
logP
2.1877
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
41.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 47795
SID: 12015705
ChEMBL ID
CHEMBL274642
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  3
1
IC50 = 890 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 1300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 2000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
2 IC50 = 5000 nM
3 IC50 = 12000 nM
Clinical Information about the Compound
Drug 1 ( BW755C )
Drug Name BW755C
Indication
Inflammation
Terminated
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
 Target Info 
Inhibitor