116545-19-8

Basic information

• Product Name: 1H-Pyrazol-3-amine, N-(1,1-dimethylethyl)-5-methyl-
• Synonyms: 1H-Pyrazol-3-amine, N-(1,1-dimethylethyl)-5-methyl-
• CAS NO: 116545-19-8
• Molecular Formula: C8H15N3
• Molecular Weight: 153.22
• Mol File: 116545-19-8.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-Pyrazol-3-amine, N-(1,1-dimethylethyl)-5-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazol-3-amine, N-(1,1-dimethylethyl)-5-methyl-(116545-19-8)
• EPA Substance Registry System: 1H-Pyrazol-3-amine, N-(1,1-dimethylethyl)-5-methyl-(116545-19-8)

Safety Data

• Hazardous Substances Data: 116545-19-8(Hazardous Substances Data)

Upstream product

• 10513-45-8 2-tert-butyl-5-methylisoxazolium perchlorate 

Relevant articles and documents

"Scorpionate-like" complexes that are held together by hydrogen bonds: Crystallographic and spectroscopic studies of (3-NH(t-butyl)-5-methyl-pyrazole)nMX2 (M = Zn, Ni, Co, Mn; N = 3, 4; X = Cl, Br)

The hydrogen bonding ligand, 3-NH(t-butyl)-5-methyl-pyrazole, forms "scorpionate-like" first row transition metal complexes that are held together by hydrogen bonds rather than covalent bonds. The formulae of these complexes are (LH)nMX2, where n = 3, 4; X = Cl, Br; and LH = 3-NH(t-butyl)-5-methyl-pyrazole. The amino-substituted pyrazole can hydrogen bond via both the amino group and the pyrazole NH to form intramolecular NH to halide hydrogen bonds. These complexes have been well characterized and show a 3:1 ratio of ligand to metal for zinc and cobalt (1 and 2), and a 4:1 ratio of ligand to metal for manganese and nickel (3 and 4). The hydrogen bonding interactions appear to be stronger for the 3:1 complexes. The crystallographic and spectroscopic studies (EPR and NMR) have shown that these hydrogen-bonding interactions are strong enough to perturb metal halogen bond distances and, with non-hydrogen bonding solvents, the hydrogen bonds appear to hold these complexes together in solution.