Description

4-Nitro-1H-pyrazole-3,5-diamine (CAS No. 62063-02-9) is a high-purity nitro-substituted pyrazole derivative with the molecular formula C₃H₅N₅O₂. This heterocyclic compound features a nitro group at the 4-position and amino groups at the 3- and 5-positions, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its crystalline structure and well-defined reactivity profile enable precise modifications in synthetic pathways. Ideal for use in high-throughput screening, medicinal chemistry, and catalyst development, this compound is supplied with comprehensive analytical data (including ¹H/¹³C NMR, HPLC, and MS) to ensure batch-to-batch consistency. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 62063-02-9
• Complexity: 144
• IUPAC Name: 4-nitro-1H-pyrazole-3,5-diamine
• InChI: InChI=1S/C3H5N5O2/c4-2-1(8(9)10)3(5)7-6-2/h(H5,4,5,6,7)
• InChI Key: WOVRMGLBHQMAFH-UHFFFAOYSA-N
• Exact Mass: 143.04432442
• Molecular Formula: C3H5N5O2
• Molecular Weight: 143.10
• SMILES: C1(=C(NN=C1N)N)[N+](=O)[O-]
• Topological: 127
• Monoisotopic Mass: 143.04432442
• Synonyms: 4-nitro-1H-pyrazole-3,5-diamine, 62063-02-9, 3,5-diamino-4-nitropyrazole, 4-nitropyrazole-3,5-diamine, SCHEMBL12398413, STK682723, AKOS005597113, AKOS006339164, DB-219014, ST4095282, 3-AMINO-4-NITRO-1H-PYRAZOL-5-YLAMINE

Application

4-Nitro-1H-pyrazole-3,5-diamine serves as a key building block in the synthesis of nitrogen-rich heterocycles for energetic materials research. Its nitro and amino functional groups enable participation in condensation and cyclization reactions to form fused pyrazole scaffolds. Researchers utilize this compound in the development of antiviral and anticancer agents due to its ability to modulate biological activity. It is also employed in coordination chemistry as a ligand for transition metal complexes.

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