3,5-dimethyl-1-prop-2-ynyl-pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-prop-2-ynyl-pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-prop-2-ynyl-pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-prop-2-ynyl-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-prop-2-ynylpyrazole-4-carboxylic acid Traditional Name: 3,5-dimethyl-1-propargyl-pyrazole-4-carboxylic acid Formula: C9H10N2O2 MolecularWeight: 178.1879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O2/c1-4-5-11-7(3)8(9(12)13)6(2)10-11/h1H,5H2,2-3H3,(H,12,13)