Name: 4-Cyano-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1[nH]nc(-c2cccs2)c1C#NMolecular Processing
Molecular formula
C11H9N3O2S
Molecular weight
247.28
Exact mass
247.0415
XLogP
2.19
TPSA
78.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
62.57
Supplementary Information
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Involved in 5 reactions→