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100852-80-0,MFCD02253786
Catalog No.:AA0002XQ
100852-80-0 | Diethyl 1-methyl-1h-pyrazole-3,5-dicarboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$133.00   $93.00
- +
5g
95%
in stock  
$508.00   $355.00
- +
10g
95%
in stock  
$858.00   $600.00
- +
25g
95%
in stock  
$1,650.00   $1,155.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002XQ
Chemical Name:
Diethyl 1-methyl-1h-pyrazole-3,5-dicarboxylate
CAS Number:
100852-80-0
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD02253786
IUPAC Name:
diethyl 1-methylpyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6-8(12(3)11-7)10(14)16-5-2/h6H,4-5H2,1-3H3
InChI Key:
WPKJUUKSWNCKPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C(=O)OCC)C
Properties
Computed Properties
 
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate 
100852-80-0 
TimTec1_003325 
SCHEMBL7698241 
CTK3J9303 
ZINC32357 
DTXSID70333711 
WPKJUUKSWNCKPZ-UHFFFAOYSA-N 
HMS1543H03 
ALBB-026416 
CS-D0514 
ZX-AN024928 
3,5-diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate 
MFCD02253786 
SBB014487 
STK301794 
1-methyl-3,5-diethoxycarbonylpyrazole 
AKOS000304562 
MCULE-3353428935 
KS-0000085Y 
AJ-08559 
AK-55685 
AS-34883 
diethyl 1-methylpyrazole-3,5-dicarboxylate 
ST044521 
ZB000924 
R5693 
EN300-227910 
Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate # 
BRD-K50436957-001-01-1 
1-methyl-1 h-pyrazole-3,5-dicarboxylic acid diethyl ester 
1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, diethyl ester 
1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-, 3,5-diethyl ester 
1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester, AldrichCPR 
1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester 
CID517746 
ZINC00032357 
Pyrazole-3,5-dicarboxylic acid, 1-methyl-, diethyl ester- 
1H-Pyrazole-3,5-dicarboxylicacid, 1-methyl-, 3,5-diethyl ester 
ethyl 3-(ethoxycarbonyl)-1-methylpyrazole-5-carboxylate 
AC1LAPAB 
ACMC-1BOY7 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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