3,5-dimethyl-1-(quinolin-2-ylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-(quinolin-2-ylmethyl)pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-(2-quinolylmethyl)pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-(2-quinolinylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-(quinolin-2-ylmethyl)pyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-(2-quinolylmethyl)pyrazole-4-carboxylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3C=C2)C)C(=O)O

InChI

InChI=1S/C16H15N3O2/c1-10-15(16(20)21)11(2)19(18-10)9-13-8-7-12-5-3-4-6-14(12)17-13/h3-8H,9H2,1-2H3,(H,20,21)