1-[(3-cyanophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C#N)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C#N)C)C(=O)O

InChI

InChI=1S/C14H13N3O2/c1-9-13(14(18)19)10(2)17(16-9)8-12-5-3-4-11(6-12)7-15/h3-6H,8H2,1-2H3,(H,18,19)