5-azanyl-1-phenethyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-phenethyl-pyrazole-4-carboxylic acid Openeye Name: 5-amino-1-phenethyl-pyrazole-4-carboxylic acid CAS Name: 5-amino-1-phenethyl-4-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-phenethylpyrazole-4-carboxylic acid Traditional Name: 5-amino-1-phenethyl-pyrazole-4-carboxylic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=C(C=N2)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=C(C=N2)C(=O)O)N

InChI

InChI=1S/C12H13N3O2/c13-11-10(12(16)17)8-14-15(11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,13H2,(H,16,17)