CCn1nc(CC(=O)N2CCCC2)cc1NC(=O)C(F)(F)F
名称: N-{1-ethyl-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide
SMILES: CCn1nc(CC(=O)N2CCCC2)cc1NC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C13H17F3N4O2
Molecular weight
318.3
Exact mass
318.1304
XLogP
1.57
TPSA
67.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
72.1

Supplementary Information

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