C1=CC(=CC=C1CC2=CC(=NN2CC(=O)O)C3=CC=NC=C3)F
Name: 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid
SMILES: C1=CC(=CC=C1CC2=CC(=NN2CC(=O)O)C3=CC=NC=C3)F

Molecular Processing

Molecular formula
C17H14FN3O2
Molecular weight
311.32
Exact mass
311.107
XLogP
2.76
TPSA
68.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
82.3

Supplementary Information

InChIKey: FLEINRCPKTZGEB-UHFFFAOYSA-N
Synonyme
1H-Pyrazole-1-acetic acid, 5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-5-[(4-fluorophenyl)methyl]-3-(4-pyridinyl)-1H-Pyrazole-1-acetic acidSCHEMBL1603659FLEINRCPKTZGEB-UHFFFAOYSA-NDB-349777[5-(4-fluorobenzyl)-3-pyridin-4-yl-1H-pyrazol-1-yl]acetic acid
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