1-phenyl-3-propan-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 1-phenyl-3-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-isopropyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-phenyl-3-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 1-phenyl-3-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-isopropyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-15(14-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)