C#CC1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F
Name: 3-ethynyl-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILES: C#CC1=C2N=C(C=C(N2N=C1)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Molecular Processing

Molecular formula
C16H7F6N3
Molecular weight
355.24
Exact mass
355.0544
XLogP
4.42
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
76.36

Supplementary Information

InChIKey: IIZLUUKQDFSYER-UHFFFAOYSA-N
Synonyme
3-ethynyl-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidineSCHEMBL13482003-ethynyl-7-trifluoromethyl -5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine3-ethynyl-7-trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[-1,5-a]pyrimidine
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