5-methyl-1-prop-2-ynyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-methyl-1-prop-2-ynyl-pyrazole-3-carboxylic acid Openeye Name: 5-methyl-1-prop-2-ynyl-pyrazole-3-carboxylic acid CAS Name: 5-methyl-1-prop-2-ynyl-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-prop-2-ynylpyrazole-3-carboxylic acid Traditional Name: 5-methyl-1-propargyl-pyrazole-3-carboxylic acid Formula: C8H8N2O2 MolecularWeight: 164.16132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC#C)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC#C)C(=O)O

InChI

InChI=1S/C8H8N2O2/c1-3-4-10-6(2)5-7(9-10)8(11)12/h1,5H,4H2,2H3,(H,11,12)