2-(2-azanylethyl)-5-[2-[4-(hydroxymethyl)phenyl]pyridin-4-yl]pyrazole-3-carboxylic acid

Systemtic Name: 2-(2-azanylethyl)-5-[2-[4-(hydroxymethyl)phenyl]pyridin-4-yl]pyrazole-3-carboxylic acid Openeye Name: 2-(2-aminoethyl)-5-[2-[4-(hydroxymethyl)phenyl]-4-pyridyl]pyrazole-3-carboxylic acid CAS Name: 2-(2-aminoethyl)-5-[2-[4-(hydroxymethyl)phenyl]-4-pyridinyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-(2-aminoethyl)-5-[2-[4-(hydroxymethyl)phenyl]pyridin-4-yl]pyrazole-3-carboxylic acid Traditional Name: 2-(2-aminoethyl)-5-[2-(4-methylolphenyl)-4-pyridyl]pyrazole-3-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO)C2=NC=CC(=C2)C3=NN(C(=C3)C(=O)O)CCN

Isomeric SMILES

C1=CC(=CC=C1CO)C2=NC=CC(=C2)C3=NN(C(=C3)C(=O)O)CCN

InChI

InChI=1S/C18H18N4O3/c19-6-8-22-17(18(24)25)10-16(21-22)14-5-7-20-15(9-14)13-3-1-12(11-23)2-4-13/h1-5,7,9-10,23H,6,8,11,19H2,(H,24,25)