methyl 2-[(4-azanylpyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 2-[(4-azanylpyrazol-1-yl)methyl]benzoate Openeye Name: methyl 2-[(4-aminopyrazol-1-yl)methyl]benzoate CAS Name: 2-[(4-amino-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-aminopyrazol-1-yl)methyl]benzoate Traditional Name: 2-[(4-aminopyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2C=C(C=N2)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2C=C(C=N2)N

InChI

InChI=1S/C12H13N3O2/c1-17-12(16)11-5-3-2-4-9(11)7-15-8-10(13)6-14-15/h2-6,8H,7,13H2,1H3