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10250-59-6,MFCD06204177
Catalog No.:AA0007IO
10250-59-6 | Methyl 1,3-dimethyl-1h-pyrazole-5-carboxylate
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Purity
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Quantity
  
1g
95%
1 week  
$147.00   $103.00
- +
5g
≥ 97% (GC)
1 week  
$584.00   $409.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA0007IO
Chemical Name:
Methyl 1,3-dimethyl-1h-pyrazole-5-carboxylate
CAS Number:
10250-59-6
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD06204177
IUPAC Name:
methyl 2,5-dimethylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)9(2)8-5/h4H,1-3H3
InChI Key:
KYQGPXFQWUSRMY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nn1C)C
Properties
Computed Properties
 
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate 
10250-59-6 
ZINC12394938 
AKOS005167438 
DS-4459 
MCULE-9752403963 
AJ-62035 
AK133239 
methyl 1,3-dimethylpyrazole-5-carboxylate 
CS-0054564 
ST45115733 
W9909 
1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl-, methyl ester 
K-0309 
Methyl 2,5-dimethyl-2H-pyrazole-3-carboxylate 
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid methyl ester 
2,5-dimethyl-2H-pyrazole-3-carboxylic acid methyl ester 
C7H10N2O2 
Methyl1,3-dimethyl-1H-pyrazole-5-carboxylate 
SCHEMBL975064 
KS-00000RIL 
DTXSID50480979 
KYQGPXFQWUSRMY-UHFFFAOYSA-N 
BBL030468 
MFCD06204177 
STK351151 
Literature
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