Molecule

ID:34360

General Information
Structure
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c11-10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,11,12)
InChIKey
VSUXHXCLAWFAJR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccn(n1)Cc1ccccc1
Isomeric Smiles
c1cc(ccc1)Cn1nc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8852525
LogD (pH = 7.4)
1.8910363
Log P
1.8911105
Molar Refractivity
64.5879
Polarizability
19.621176
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 21377-09-3|1-benzyl-1H-pyrazol-3-amine|1-Benzyl-1H-pyrazol-3-amine|1-benzylpyrazol-3-amine|1-Benzyl-1H-pyrazol-3-amine | Molfinder