31037-02-2

Basic information

• Product Name: ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
• Synonyms: 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;AKOS B022231;TIMTEC-BB SBB005505;ETHYL 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CA&;5-Amino-1-methyl-1H-pyrazole-4-carboxylicacideth;ETHYL 3-AMINO-2-METHYLPYRAZOLE-4-CARBOXYLATE;ethyl-5-amino-1-methyl-1Hpyrazole carboxylate
• CAS NO: 31037-02-2
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.18
• EINECS: 1592732-453-0
• Product Categories: Pharmaceutical Intermediates;Pyrazole series;Esters;Pyrazoles & Triazoles;Heterocyclic Compounds;Pyrazoles & Triazoles;Building Blocks;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 31037-02-2.mol
• Article Data: 3

Chemical Properties

• Melting Point: 101-102 °C
• Boiling Point: 300.5 °C at 760 mmHg
• Flash Point: 135.5 °C
• Appearance: Yellow/Crystals or Crystalline Powder
• Density: 1.29 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: soluble in Methanol
• PKA: 2.03±0.10(Predicted)
• Sensitive: Hygroscopic
• BRN: 131200
• CAS DataBase Reference: ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE(31037-02-2)
• EPA Substance Registry System: ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE(31037-02-2)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 36/37/39-26-22-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 31037-02-2(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystals or crystalline powder

InChI:InChI=1/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3

Upstream product

• 42466-67-1 ethyl (ethoxymethylene)cyanoacetate 
• 60-34-4 methylhydrazine 
• 22038-72-8 methyldiazene 

Downstream Products

• 122800-02-6 5-(4-Fluoro-2-nitro-phenylamino)-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester 
• 138188-03-1 N-(1-methyl-4-carbethoxypyrazol-5-yl)-2-chlorobenzamide 
• 115445-65-3 N-(1-methyl-4-carboxypyrazol-5-yl)-2-hydroxybenzamide 
• 99347-01-0 Ethyl 5-benzoylamino-1-methyl-1H-pyrazole-4-carboxylate 
• 74772-07-9 ethyl 1-methyl-5-<(2-nitrophenyl)amino>-pyrazole-4-carboxylate 
• 90543-06-9 1-methyl-4-ethoxycarbonyl-5-<(triphenylphosphoranylidene)amino>pyrazole 
• 104907-76-8 1-methyl-5-(2-nitro-benzoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester 
• 99347-21-4 5-amino-1-methyl-1H-pyrazole-4-carboxhydrazide 
• 88398-82-7 ethyl 5-(chlorosulfonyl)-1-methyl-1H-pyrazole-4-carboxylate 
• 88398-78-1 1-methyl-5-hydroxypyrazol-4-carboxylic acid ethyl ester 
• 85290-80-8 ethyl 1-methylpyrazole-4-carboxylate 
• 56984-32-8 5-chloro-1-methyl-1H-pyrazole-4-carboxylic acid,ethyl ester 
• 173312-52-2 5-[(2-Ethyl-5-methyl-4-nitro-2H-pyrazole-3-carbonyl)-amino]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester 
• 271778-18-8 5-[bis(2-methyl-benzoyl)-amino]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester 

Relevant articles and documents

Investigation of pyrazolo-sulfonamides as putative small molecule oxytocin receptor agonists

The neuropeptide oxytocin has been implicated in multiple central nervous system functions in mammalian species. Increased levels have been reported to improve trust, alleviate symptoms related to autism and social phobias, and reduce social anxiety. Hoffman-La Roche published a patent claiming to have found potent small molecule oxytocin receptor agonists, smaller than the first non-peptide oxytocin agonist reported, WAY 267,464. We selected two of the more potent compounds from the patent and, in addition, created WAY 267,464 hybrid structures and determined their oxytocin and vasopressin receptor activity. Human embryonic kidney and Chinese hamster ovary cells were used for the expression of oxytocin or vasopressin 1a receptors and activity assessed via IP1 accumulation assays and calcium FLIPR assays. The results concluded that the reported compounds in the patent and the hybrid structures have no activity at the oxytocin or vasopressin 1a receptors.

Pyrazole derivatives and their pharmaceutical use

The present invention relates to a pyrazole derivative represented by formula (I) or (II) STR1 wherein R1 is hydrogen C2-C6 alkyl benzyl or phenyl; each of R2 and R3 is hydrogen, C1-C6 alkyl or benzyl; each of R4 and R5 is hydrogen, C1-C6 alkyl, C3-C6 alkenyl, C3-C8 cycloalkyl, benzyl or phenyl; X is oxygen or sulfur; R5 is hydrogen, C2-C6 alkyl, C3-C6 alkenyl, C3-C8 cycloalkyl or benzyl when R1 is benzyl, R2 is ethyl, R3 is hydrogen, and R4 is hydrogen, and its pharmaceutical use.