Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
• CAS No.: 103626-03-5
• Molecular Formula: C7H10N2O3
• Molecular Weight: 170.168
• Hs Code.: 2933199090
• ChEMBL ID: CHEMBL3740605
• DSSTox Substance ID: DTXSID20576232
• Wikidata: Q72465599
• Mol file: 103626-03-5.mol

Synonyms:103626-03-5;Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate;3-Hydroxy-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester;2,3-Dihydro-1-methyl-3-oxo-1H-pyrazole-4-carboxylic acid ethyl ester;ethyl 3-hydroxy-1-methyl-1H-pyrazole-4-carboxylate;ethyl 2-methyl-5-oxo-1H-pyrazole-4-carboxylate;Ethyl 1-Methyl-3-oxo-2,3-dihydropyrazole-4-carboxylate;1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-1-methyl-3-oxo-, ethyl ester;SCHEMBL4698208;CHEMBL3740605;SCHEMBL20653919;DTXSID20576232;YWMNONDJOJDGQH-UHFFFAOYSA-N;MFCD12131137;MFCD16620091;AKOS015838791;AKOS016015055;AS-5219;CS-W022639;SY023935;Ethyl1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate;3-Hydroxy-1-methyl-1H-pyrazole-4-carboxylic acidethyl ester

Chemical Property of Ethyl 1-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate

Chemical Property:

• Melting Point: 144-146℃
• PKA: 7.76±0.70(Predicted)
• PSA: 64.35000
• Density: 1.235±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 0.30240
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxy-1-methyl-1H-pyrazole-4-carboxylicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(NC1=O)C