4-ethynyl-2,5-dimethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-ethynyl-2,5-dimethyl-pyrazole-3-carboxylic acid Openeye Name: 4-ethynyl-2,5-dimethyl-pyrazole-3-carboxylic acid CAS Name: 4-ethynyl-2,5-dimethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-ethynyl-2,5-dimethylpyrazole-3-carboxylic acid Traditional Name: 4-ethynyl-2,5-dimethyl-pyrazole-3-carboxylic acid Formula: C8H8N2O2 MolecularWeight: 164.16132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O2/c1-4-6-5(2)9-10(3)7(6)8(11)12/h1H,2-3H3,(H,11,12)