4-butyl-1-phenyl-pyrazole-3,5-diamine

Systemtic Name: 4-butyl-1-phenyl-pyrazole-3,5-diamine Openeye Name: 4-butyl-1-phenyl-pyrazole-3,5-diamine CAS Name: 4-butyl-1-phenylpyrazole-3,5-diamine IUPAC Name: 4-butyl-1-phenylpyrazole-3,5-diamine Traditional Name: (5-amino-4-butyl-1-phenyl-pyrazol-3-yl)amine Formula: C13H18N4 MolecularWeight: 230.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=C1N)C2=CC=CC=C2)N

Isomeric SMILES

CCCCC1=C(N(N=C1N)C2=CC=CC=C2)N

InChI

InChI=1S/C13H18N4/c1-2-3-9-11-12(14)16-17(13(11)15)10-7-5-4-6-8-10/h4-8H,2-3,9,15H2,1H3,(H2,14,16)