1,3-dimethyl-5-[(phenylmethyl)-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1,3-dimethyl-5-[(phenylmethyl)-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 5-[benzyl(isopropyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1,3-dimethyl-5-[(phenylmethyl)-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 5-[benzyl(propan-2-yl)amino]-1,3-dimethylpyrazole-4-carboxylic acid Traditional Name: 5-[benzyl(isopropyl)amino]-1,3-dimethyl-pyrazole-4-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)O)N(CC2=CC=CC=C2)C(C)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O)N(CC2=CC=CC=C2)C(C)C)C

InChI

InChI=1S/C16H21N3O2/c1-11(2)19(10-13-8-6-5-7-9-13)15-14(16(20)21)12(3)17-18(15)4/h5-9,11H,10H2,1-4H3,(H,20,21)