C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=NN3)C4=CC=NC=C4
CAS: 898563-86-5
Nom: 4-[5-(4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]pyridine
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=NN3)C4=CC=NC=C4

Molecular Processing

Molecular formula
C21H17N3O
Molecular weight
327.39
Exact mass
327.1372
XLogP
4.72
TPSA
50.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
98.03

Supplementary Information

InChIKey: DIPUVBPUJYJDFR-UHFFFAOYSA-N
Synonymes
SCHEMBL1758642DIPUVBPUJYJDFR-UHFFFAOYSA-NDB-1662044-[3(4-Benzyloxy-phenyl)-1H-pyrazol-4-yl]-pyridine4-(3-(4-(Benzyloxy)phenyl)-1H-pyrazol-4-yl)pyridine4-[3-(4-Benzyloxy-phenyl)-1H-pyrazol-4-yl]-pyridine898563-86-5
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Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→