5-[butan-2-yl(methyl)amino]-3-methyl-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[butan-2-yl(methyl)amino]-3-methyl-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-methyl-5-[methyl(sec-butyl)amino]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[butan-2-yl(methyl)amino]-3-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[butan-2-yl(methyl)amino]-3-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-methyl-5-[methyl(sec-butyl)amino]-1-phenyl-pyrazole-4-carboxylic acid Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCC(C)N(C)C1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C16H21N3O2/c1-5-11(2)18(4)15-14(16(20)21)12(3)17-19(15)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,20,21)