5-(hexylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(hexylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(hexylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(hexylamino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(hexylcarbamoyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(hexylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=C(C=NN1C)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)C1=C(C=NN1C)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-3-4-5-6-7-13-11(16)10-9(12(17)18)8-14-15(10)2/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)