Name: [1-(4-amino-benzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-acetic acid methyl ester
SMILES:
COC(=O)Cc1c(C)nn(Cc2ccc(N)cc2)c1CMolecular Processing
Molecular formula
C15H19N3O2
Molecular weight
273.34
Exact mass
273.1477
XLogP
1.85
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
77.38
Supplementary Information
Details werden geladen…
An 7 Reaktionen beteiligt→