Molecular Details
DICL_CP_0316032
- 1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316032
PubChem CID
Molecular Formula
C14H14N4 Molecular Weight
238.294 g/mol
Synonyms/Alias
[SCHEMBL17493856; BDBM311046; US10155727; Example 87]
InChI Key
IVQOSXHMIKOTIP-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N4/c1-17-14(7-8-15-17)11-18-10-13(9-16-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
IUPAC Name
1-methyl-5-[(4-phenylpyrazol-1-yl)methyl]pyrazole
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 20 0 0 0 0 0 0 0 0999 V2000
-5.6044 -0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5171 0.2832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0420 0...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptors subunit NR1/NR2B
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 100000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
4 ℃
Test Method
Binding assay ([3H] Dofetilide)
Test Species
Rattus norvegicus brain
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
useful in treating central nervous system diseases
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
USRE49517
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
3
logP
2.3319
Complexity
69.973
TPSA (Ų)
35.64
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
3