Name: methyl 1-(4-cyanopyridin-2-yl)-5-(4-methylphenyl)-1H-pyrazole-3-carboxylate
SMILES:
COC(=O)c1cc(-c2ccc(C)cc2)n(-c2cc(C#N)ccn2)n1Molecular Processing
Molecular formula
C18H14N4O2
Molecular weight
318.34
Exact mass
318.1117
XLogP
2.9
TPSA
80.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
87.59
Supplementary Information
Details werden geladen…
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