methyl 5-azanyl-3-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-3-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-(benzylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-amino-3-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-(benzylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylamino)-1H-pyrazole-4-carboxylic acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NN=C1NCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(NN=C1NCC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N4O2/c1-18-12(17)9-10(13)15-16-11(9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H4,13,14,15,16)