Nombre: 7-cyclopropyl-3-ethynyl-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILES:
C#CC1=C2N=C(C=C(N2N=C1)C3CC3)C4=CC=C(C=C4)C(F)(F)FMolecular Processing
Molecular formula
C18H12F3N3
Molecular weight
327.31
Exact mass
327.0983
XLogP
4.27
TPSA
30.19
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
83.34
Supplementary Information
InChIKey: COABDOFRUOZCBW-UHFFFAOYSA-N
Sinónimos
7-cyclopropyl-3-ethynyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidineSCHEMBL1348572
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