Nombre: 4-cyano-5-propyl-2H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCCc1n[nH]c(C(=O)OCC)c1C#NMolecular Processing
Molecular formula
C10H13N3O2
Molecular weight
207.23
Exact mass
207.1008
XLogP
1.41
TPSA
78.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.25
Supplementary Information
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