2-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid

Systemtic Name: 2-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid Openeye Name: 4-[(3-isobutoxyphenyl)methylamino]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 2-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]-3-pyrazolecarboxylic acid IUPAC Name: 2-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid Traditional Name: 4-[(3-isobutoxybenzyl)amino]-2-methyl-pyrazole-3-carboxylic acid Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)CNC2=C(N(N=C2)C)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)CNC2=C(N(N=C2)C)C(=O)O

InChI

InChI=1S/C16H21N3O3/c1-11(2)10-22-13-6-4-5-12(7-13)8-17-14-9-18-19(3)15(14)16(20)21/h4-7,9,11,17H,8,10H2,1-3H3,(H,20,21)