Nom: 4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzonitrile
SMILES:
CC(C)(C)c1cc(N)n(-c2ccc(C#N)cc2)n1Molecular Processing
Molecular formula
C14H16N4
Molecular weight
240.31
Exact mass
240.1375
XLogP
2.62
TPSA
67.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
71.39
Supplementary Information
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