Motivated by the growing demand for new materials with novel properties, in the present work we design a series of two-dimensional Janus ZrSiZ3H (Z= N, P, As) monolayers and examine their physical features by using first-principle investigations. All three ZrSiN3H, ZrSiP3H, and ZrSiAs3H monolayers have good thermodynamic and mechanical stabilities from the ab initio molecular dynamics and obtained elastic coefficients results. The ZrSiZ3H systems also exhibit Raman response and piezoelectricity. Among three monolayers, the ZrSiAs3H possesses the highest in-plane and extra out-of-plane piezoelectric effects with d11 and d31 values of −7.88 pm/V and −0.19 pm/V, respectively. In addition, from calculated band structures, the ZrSiZ3H systems are found as semiconductors with bandgap energies varying from 0.90 to 3.00 eV at the Heyd–Scuseria–Ernzerhof theoretical level. The Zr-d and P-p orbitals give significant contributions to the band edge formation of all proposed configurations. The electrons can escape more easily from the H side than from the Z side due to their lower work functions. Notably, the ZrSiZ3H structures show anisotropic carrier mobilities along two in-plane axes. The ZrSiP3H and ZrSiAs3H monolayers exhibit high electron mobility in the x direction of 6925.53 and 6291.17 cm2V−1s−1, respectively. Our findings highlight the ZrSiZ3H systems as stable piezoelectric and electronic semiconductors for technological applications.