5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-methyl-3-(phenethylamino)-1H-pyrazole-4-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-9-11(13(17)18)12(16-15-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H2,14,15,16)