Name: (R)-5-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)propan-2-ylcarbamoyl)-1H-pyrazole-3-carboxylic acid
SMILES:
Cc1cc(-c2ccn(C[C@@H](C)NC(=O)c3cc(C(=O)O)n[nH]3)n2)ccc1C#NMolecular Processing
Molecular formula
C19H18N6O3
Molecular weight
378.39
Exact mass
378.144
XLogP
1.97
TPSA
136.69
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
99.59
Supplementary Information
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