1-ethyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylate

Systemtic Name: 1-ethyl-4-[(phenylmethyl)amino]pyrazole-3-carboxylate Openeye Name: 4-(benzylamino)-1-ethyl-pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[(phenylmethyl)amino]-3-pyrazolecarboxylate IUPAC Name: 4-(benzylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 4-(benzylamino)-1-ethyl-pyrazole-3-carboxylate Formula: C13H14N3O2- MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)[O-])NCC2=CC=CC=C2

InChI

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