Nombre: 2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenol
SMILES:
CC1=CC(=CC(=C1O)C)NC2=NN(C=C2)C3=CC=CC=C3Molecular Processing
Molecular formula
C17H17N3O
Molecular weight
279.34
Exact mass
279.1372
XLogP
3.94
TPSA
50.08
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
84.43
Supplementary Information
InChIKey: RMFCEMIAAFPZDW-UHFFFAOYSA-N
Sinónimos
SCHEMBL9122079RMFCEMIAAFPZDW-UHFFFAOYSA-N2,6-dimethyl-4-(1-phenyl-1H-pyrazol-3-yl) aminophenol2,6-dimethyl-4-(1-phenyl-1H-pyrazol-3-yl)amino phenol
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