Name: (S)-2-amino-N-(1-ethyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl)-3-phenylpropanamide
SMILES:
CCn1nc(-c2ccncc2)cc1NC(=O)[C@@H](N)Cc1ccccc1Molecular Processing
Molecular formula
C19H21N5O
Molecular weight
335.41
Exact mass
335.1746
XLogP
2.47
TPSA
85.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
97.88
Supplementary Information
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