The continually growing global population—projected to reach 8.6 billion in the year 2030—brings unprecedented stress to sustainable farm productivity, particularly with climate change. To address this, overreliance on conventional agrochemicals, particularly pesticides, has increased immensely in an attempt to ensure global food security. Though these inputs have effectively reduced crop losses, their widespread and often uncontrolled application has caused very negative ecological effects, including pollution of the environment, loss of biodiversity, bioaccumulation, and the emergence of resistant phytopathogens. Rising nanotechnology can offer an improved option in the form of nano-enabled agrochemical products, including nano-fertilizers, nano-pesticides, and nano-sensors. These next-generation inputs exhibit enhanced efficiency, controlled release, target selectivity, and reduced environmental impact through their unique physicochemical characteristics—particularly their high surface area-to-volume ratio and surface reactivity, which can be controlled. Nanoparticles derived from inorganic, organic, and biomolecular precursors are being engineered for plant defense, insect management, and soil fertilization. Their behavior with complex soil microcosms and microbiota is not yet fully understood, and robust experimental design is required to establish their behavior at the molecular scale. Laboratory studies can provide good predictions of nanoparticle effects on seed germination, plant growth, and antimicrobial activity but need to be supplemented by ecological risk assessments to ensure field use. In addition, in silico modeling and machine learning are gaining traction as strategies for predicting nanoparticle behavior and guiding safe nano-agrochemical design. While repeated commercial application of several nano-formulations has been realized, fears still exist about nanoparticle deposition in crops, microbial perturbation of the soil, and food chain human health hazards. Thus, future innovation and application of nanotechnology to agriculture must balance innovation and comprehensive environmental safety analyses in the aim to establish a more sustainable and robust system of food production.