4-(3-bromophenyl)-5-butyl-2-methyl-pyrazol-3-amine

Systemtic Name: 4-(3-bromophenyl)-5-butyl-2-methyl-pyrazol-3-amine Openeye Name: 4-(3-bromophenyl)-5-butyl-2-methyl-pyrazol-3-amine CAS Name: 4-(3-bromophenyl)-5-butyl-2-methyl-3-pyrazolamine IUPAC Name: 4-(3-bromophenyl)-5-butyl-2-methylpyrazol-3-amine Traditional Name: [4-(3-bromophenyl)-5-butyl-2-methyl-pyrazol-3-yl]amine Formula: C14H18BrN3 MolecularWeight: 308.21682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1C2=CC(=CC=C2)Br)N)C

Isomeric SMILES

CCCCC1=NN(C(=C1C2=CC(=CC=C2)Br)N)C

InChI

InChI=1S/C14H18BrN3/c1-3-4-8-12-13(14(16)18(2)17-12)10-6-5-7-11(15)9-10/h5-7,9H,3-4,8,16H2,1-2H3