5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 5-(1-azocanyl)-1,3-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(azocan-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-(azocan-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N2CCCCCCC2)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N2CCCCCCC2)C

InChI

InChI=1S/C13H21N3O2/c1-10-11(13(17)18)12(15(2)14-10)16-8-6-4-3-5-7-9-16/h3-9H2,1-2H3,(H,17,18)