Molecule

ID:98146

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₃N₃
Molecular Mass
165.1164496
Exact Mass
165.05138187
Charge
0
InChI
InChI=1S/C5H6F3N3/c1-11-3(5(6,7)8)2-4(9)10-11/h2H,1H3,(H2,9,10)
InChIKey
XIVVMPWSYHAGFP-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(nn1C)N)(F)F
Isomeric Smiles
n1(nc(N)cc1C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.962299
LogD (pH = 7.4)
0.9644594
Log P
0.9644871
Molar Refractivity
45.8265
Polarizability
11.508975
Polar Surface Area
43.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
Navigation
CAS 149978-42-7|3-Amino-1-methyl-5-(trifluoromethyl)-1H-pyrazole|1-methyl-5-(trifluoromethyl)pyrazol-3-amine|1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine|1-methyl-5-(trifluoromethyl)-1H-pyrazol-3... | Molfinder