Name: 4-dimethylamino-3hydroxymethyl-2-methyl-1-phenyl-3-pyrazolin-5-one
SMILES:
CN(C)c1c(CO)n(C)n(-c2ccccc2)c1=OMolecular Processing
Molecular formula
C13H17N3O2
Molecular weight
247.3
Exact mass
247.1321
XLogP
0.73
TPSA
50.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.308
Molar refractivity
71.26
Supplementary Information
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Involved in 1 reactions→