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

Systemtic Name: 5-azanyl-1-methyl-3-[(phenylmethyl)amino]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(benzylamino)-1-methyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-methyl-3-[(phenylmethyl)amino]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(benzylamino)-1-methylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-(benzylamino)-1-methyl-pyrazole-4-carbonitrile Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)NCC2=CC=CC=C2)C#N)N

Isomeric SMILES

CN1C(=C(C(=N1)NCC2=CC=CC=C2)C#N)N

InChI

InChI=1S/C12H13N5/c1-17-11(14)10(7-13)12(16-17)15-8-9-5-3-2-4-6-9/h2-6H,8,14H2,1H3,(H,15,16)