1,3-dimethyl-1H-pyrazole-5-carbohydrazide

Base Information

• Chemical Name: 1,3-dimethyl-1H-pyrazole-5-carbohydrazide
• CAS No.: 89187-40-6
• Molecular Formula: C₆H₁₀N₄O
• Molecular Weight: 154.172
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID30400276
• Nikkaji Number: J529.749D
• Wikidata: Q82203164
• Mol file: 89187-40-6.mol

Synonyms:1,3-dimethyl-1H-pyrazole-5-carbohydrazide;89187-40-6;1,3-dimethylpyrazole-5-carbohydrazide;2,5-dimethylpyrazole-3-carbohydrazide;2,5-Dimethyl-2H-pyrazole-3-carboxylic acid hydrazide;1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl-, hydrazide;1,3-Dimethyl-1H-pyrazole-5-carboxylic acid hydrazide;SCHEMBL3519480;DTXSID30400276;JNCYYXYBTYXWKZ-UHFFFAOYSA-N;BBL037960;MFCD02253833;STK298598;AKOS000308062;AS-8022;SB85949;CS-0187755;FT-0678161;EN300-228210;H11626;A843089;1,3-Dimethyl-1H-pyrazole-5-carbohydrazide, AldrichCPR

Chemical Property of 1,3-dimethyl-1H-pyrazole-5-carbohydrazide

Chemical Property:

• Melting Point: 151-153°C
• Refractive Index: 1.627
• PKA: 12.19±0.10(Predicted)
• PSA: 72.94000
• Density: 1.36g/cm³
• LogP: 0.42320
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.08546096
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

1,3-Dimethyl-1H-pyrazole-5-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)C(=O)NN)C

Technology Process of 1,3-dimethyl-1H-pyrazole-5-carbohydrazide

There total 2 articles about 1,3-dimethyl-1H-pyrazole-5-carbohydrazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

→ 2,5-dimethyl-2H-pyrazole-3-carboxylic acid hydrazide (89187-40-6)

Guidance literature:

Reference yield: 80.0%

ethyl 1,3-dimethylpyrazole-5-carboxylate (5744-40-1) → 2,5-dimethyl-2H-pyrazole-3-carboxylic acid hydrazide (89187-40-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Heating;

Reference yield:

4-chloro-1-(2-isothiocyanatophenyl)-7-methoxy-1'-neopentylspiro[indoline-3,4'-piperidine] (1554015-79-0) + 2,5-dimethyl-2H-pyrazole-3-carboxylic acid hydrazide (89187-40-6) → C31H38ClN7OS (1609549-32-7)

Guidance literature:

4-chloro-1-(2-isothiocyanatophenyl)-7-methoxy-1'-neopentylspiro[indoline-3,4'-piperidine]; 2,5-dimethyl-2H-pyrazole-3-carboxylic acid hydrazide; In dichloromethane; at 20 ℃; for 16h;

With sulfuric acid; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmcl.2014.04.011

upstream raw materials:

ethyl 1,3-dimethylpyrazole-5-carboxylate

Downstream raw materials:

C₃₁H₃₈ClN₇OS

Refernces

• 1、 Tihanyi,Feher,Gal,et al.. "Pyrazolecarboxylic acid hydrazides as antiinflammatory agents. New selective lipoxygenase inhibitors". . p. 433 - 439. Retrieved 2007/10/02.