1-(phenylmethyl)-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-isopropyl-pyrazole-4-carboxylic acid CAS Name: 1-(phenylmethyl)-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-isopropyl-pyrazole-4-carboxylic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NN(C=C1C(=O)O)CC2=CC=CC=C2

InChI

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