5-[butyl(methyl)amino]-3-methyl-1-phenyl-pyrazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CCCCN(C)C1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O

InChI

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