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10199-51-6,MFCD08060533
Catalog No.:AA00063C
10199-51-6 | Ethyl 1-Methyl-5-phenylpyrazole-3-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$114.00   $80.00
- +
5g
98%
in stock  
$524.00   $367.00
- +
10g
98%
in stock  
$945.00   $661.00
- +
  • Technical Information
  • Properties
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00063C
Chemical Name:
Ethyl 1-Methyl-5-phenylpyrazole-3-carboxylate
CAS Number:
10199-51-6
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD08060533
IUPAC Name:
ethyl 1-methyl-5-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H14N2O2/c1-3-17-13(16)11-9-12(15(2)14-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChI Key:
KQECZAANWUVBES-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
10199-51-6 
ethyl 1-methyl-5-phenylpyrazole-3-carboxylate 
KQECZAANWUVBES-UHFFFAOYSA-N 
ZINC5177725 
ZX-AT016528 
MFCD08060533 
SBB097603 
AKOS015908700 
CS-W000418 
3-ethoxycarbonyl-1-methyl5-phenylpyrazole 
CJ-12497 
SY128859 
Ethyl 1-methyl-5-phenyl-1H-pyrazole-3-carboxylate 
DB-058744 
FT-0712839 
MFCD08060533 (95%) 
ethyl 1-methyl-5-phenylpyrazol-3-ylcarboxylate 
K-0269 
ethyl 1-methyl-5-phenyl-1H-3-pyrazolecarboxylate 
I14-34589 
1H-Pyrazole-3-carboxylicacid,1-methyl-5-phenyl-,ethyl ester 
ZINC05177725 
CID7537623 
1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester 
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-, ethyl ester 
1H-Pyrazole-3-carboxylicacid, 1-methyl-5-phenyl-, ethyl ester 
AC1ONMHW 
SCHEMBL1779589 
CTK4A0532 
DTXSID80428768 
Literature
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