1-(2,4,4-trimethylpentan-2-ylamino)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2,4,4-trimethylpentan-2-ylamino)pyrazole-4-carboxylic acid Openeye Name: 1-(1,1,3,3-tetramethylbutylamino)pyrazole-4-carboxylic acid CAS Name: 1-(2,4,4-trimethylpentan-2-ylamino)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,4,4-trimethylpentan-2-ylamino)pyrazole-4-carboxylic acid Traditional Name: 1-(1,1,3,3-tetramethylbutylamino)pyrazole-4-carboxylic acid Formula: C12H21N3O2 MolecularWeight: 239.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NN1C=C(C=N1)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)NN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C12H21N3O2/c1-11(2,3)8-12(4,5)14-15-7-9(6-13-15)10(16)17/h6-7,14H,8H2,1-5H3,(H,16,17)