3-[(4-ethylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[(4-ethylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[(4-ethylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[(4-ethylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[(4-ethylphenyl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[(4-ethylbenzyl)amino]-1H-pyrazole-5-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC2=NNC(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNC2=NNC(=C2)C(=O)O

InChI

InChI=1S/C13H15N3O2/c1-2-9-3-5-10(6-4-9)8-14-12-7-11(13(17)18)15-16-12/h3-7H,2,8H2,1H3,(H,17,18)(H2,14,15,16)