ethyl 5-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(benzylamino)-1H-pyrazole-4-carboxylate CAS Name: 5-[(phenylmethyl)amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(benzylamino)-1H-pyrazole-4-carboxylate Traditional Name: 5-(benzylamino)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NCC2=CC=CC=C2

InChI

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