Name: 5-amino-N-[2-(aminomethyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILES:
NCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)FMolecular Processing
Molecular formula
C14H15F4N5O2
Molecular weight
361.3
Exact mass
361.1162
XLogP
0.58
TPSA
119.19
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
80.33
Supplementary Information
Details werden geladen…
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