3-tert-butyl-5-(phenylmethyl)-1H-pyrazole

Systemtic Name: 3-tert-butyl-5-(phenylmethyl)-1H-pyrazole Openeye Name: 5-benzyl-3-tert-butyl-1H-pyrazole CAS Name: 3-tert-butyl-5-(phenylmethyl)-1H-pyrazole IUPAC Name: 5-benzyl-3-tert-butyl-1H-pyrazole Traditional Name: 5-benzyl-3-tert-butyl-1H-pyrazole Formula: C14H18N2 MolecularWeight: 214.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=NNC(=C1)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N2/c1-14(2,3)13-10-12(15-16-13)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16)