3,5-dimethyl-1-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-phenethyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-phenethylpyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-phenethyl-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-10-13(14(17)18)11(2)16(15-10)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,17,18)