Description

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (CAS No. 31037-02-2) is a high-purity heterocyclic organic compound with the molecular formula C₇H₁₁N₃O₂. This versatile pyrazole derivative is widely utilized in pharmaceutical research, agrochemical synthesis, and material science applications. The compound features a reactive amino group and an ester functionality, making it a valuable building block for the development of novel drug candidates and specialty chemicals.

Our product is synthesized under strict quality control measures to ensure exceptional purity (>98%) and batch-to-batch consistency. Each lot undergoes comprehensive analytical characterization including ¹H NMR, HPLC, and mass spectrometry verification. The material is supplied as a crystalline solid with excellent stability when stored under recommended conditions (2-8°C in airtight containers).

Key Features:
– Molecular Weight: 169.18 g/mol
– Exact Mass: 169.0851
– Heavy Atom Count: 12
– Hydrogen Bond Donor Count: 1
– Hydrogen Bond Acceptor Count: 4
– Rotatable Bond Count: 3
– Topological Polar Surface Area: 71.8 Ų

Properties

• CAS Number: 31037-02-2
• Complexity: 174
• IUPAC Name: ethyl 5-amino-1-methyl-pyrazole-4-carboxylate
• InChI: InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3
• InChI Key: MEUSJJFWVKBUFP-UHFFFAOYSA-N
• Exact Mass: 169.085126602
• Molecular Formula: C7H11N3O2
• Molecular Weight: 169.18
• SMILES: CCOC(=O)C1=C(N(N=C1)C)N
• Topological: 70.1
• Monoisotopic Mass: 169.085126602
• Synonyms: Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate, DTXSID30297224, DTXCID20248361, 626-277-3, 31037-02-2, Ethyl 5-amino-1-methylpyrazole-4-carboxylate, 5-amino-1-methyl-1h-pyrazole-4-carboxylic acid ethyl ester, MFCD00051652, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester, ethyl 3-imino-2-methyl-2,3-dihydro-1H-pyrazole-4-carboxylate, 1955554-71-8, ethyl 5-amino-1-methyl-4-pyrazolecarboxylate, ethyl-5-amino-1-methyl-1h-pyrazole-4-carboxylate, 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, NSC221274, Maybridge1_003833, ethyl 5-amino-1-methyl pyrazole-4-carboxylate, SCHEMBL561034, CHEMBL448017, HMS552G05, BCP21448, BBL016264, CCG-54989, NSC114767, SBB005505, STK349877, AKOS000260473, AB02134, AC-4413, CS-W002244, DS-0282, FS-1089, NSC-114767, NSC-221274, 1-methyl-4-carboethoxy-5-aminopyrazole, SY004509, 5-amino-4-ethoxycarbonyl-1-methylpyrazole, DB-047958, E0986, ST45123313, EN300-25684, Ethyl 1-methyl-5-aminopyrazole-4-carboxylate, Ethyl5-amino-1-methyl-1H-pyrazole-4-carboxylate, ethyl 1-methyl-5-amino-1H-pyrazole-4-carboxylate, SR-01000644043-1, Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate #, Z55410424, Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate, 97%, F3308-4055, Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester, 5-amino-1-methyl-1H-pyrazole-4-carboxylic acid, ethyl ester, H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester

Application

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate serves as a crucial intermediate in medicinal chemistry for the synthesis of various biologically active compounds. Researchers employ this building block in the development of kinase inhibitors and antimicrobial agents due to its privileged pyrazole scaffold. The compound’s reactive sites enable facile derivatization for structure-activity relationship studies in drug discovery programs. Additionally, it finds application in crop protection research as a precursor for novel pesticidal compounds.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.