CCOC(=O)C1=C(C(=NN1)C2=CC=CC=N2)C3=CC=NC4=CC=CC=C34
Name: ethyl 3-pyridin-2-yl-4-quinolin-4-yl-1H-pyrazole-5-carboxylate
SMILES: CCOC(=O)C1=C(C(=NN1)C2=CC=CC=N2)C3=CC=NC4=CC=CC=C34

Molecular Processing

Molecular formula
C20H16N4O2
Molecular weight
344.37
Exact mass
344.1273
XLogP
3.86
TPSA
80.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
98.51

Supplementary Information

InChIKey: XSGSOGQWTLMFKT-UHFFFAOYSA-N
Synonyme
SCHEMBL5239310XSGSOGQWTLMFKT-UHFFFAOYSA-N3-ethoxycarbonyl-5-pyridin-2-yl-4-quinolin-4-yl-pyrazole
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