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

Systemtic Name: 3-methyl-1-propan-2-yl-pyrazole-4-carboxylic acid Openeye Name: 1-isopropyl-3-methyl-pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-propan-2-yl-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-propan-2-ylpyrazole-4-carboxylic acid Traditional Name: 1-isopropyl-3-methyl-pyrazole-4-carboxylic acid Formula: C8H12N2O2 MolecularWeight: 168.19308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)C(C)C

Isomeric SMILES

CC1=NN(C=C1C(=O)O)C(C)C

InChI

InChI=1S/C8H12N2O2/c1-5(2)10-4-7(8(11)12)6(3)9-10/h4-5H,1-3H3,(H,11,12)