5-methyl-2-phenyl-pyrazol-3-amine; tris(4-methylphenyl)borane

Systemtic Name: 5-methyl-2-phenyl-pyrazol-3-amine; tris(4-methylphenyl)borane Openeye Name: 5-methyl-2-phenyl-pyrazol-3-amine; tris-p-tolylborane CAS Name: 5-methyl-2-phenyl-3-pyrazolamine; tris(4-methylphenyl)borane IUPAC Name: 5-methyl-2-phenylpyrazol-3-amine; tris(4-methylphenyl)borane Traditional Name: (5-methyl-2-phenyl-pyrazol-3-yl)amine; tris-p-tolylborane Formula: C31H32BN3 MolecularWeight: 457.41688

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=NN(C(=C1)N)C2=CC=CC=C2

Isomeric SMILES

B(C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.CC1=NN(C(=C1)N)C2=CC=CC=C2

InChI

InChI=1S/C21H21B.C10H11N3/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h4-15H,1-3H3;2-7H,11H2,1H3