Home Carboxes 1017782-45-4
1017782-45-4,MFCD00829900
Catalog No.:AA0005GU
1017782-45-4 | Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$93.00   $65.00
- +
1g
97%
in stock  
$129.00   $90.00
- +
5g
97%
in stock  
$596.00   $417.00
- +
10g
97%
in stock  
$953.00   $667.00
- +
25g
97%
in stock  
$1,905.00   $1,334.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0005GU
Chemical Name:
Methyl 3-(tert-butyl)-1h-pyrazole-4-carboxylate
CAS Number:
1017782-45-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD00829900
IUPAC Name:
methyl 5-tert-butyl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-9(2,3)7-6(5-10-11-7)8(12)13-4/h5H,1-4H3,(H,10,11)
InChI Key:
RBCJMGWABQNGAM-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1C(C)(C)C
Properties
Computed Properties
 
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
Methyl 3-(tert-butyl)-1H-pyrazole-4-carboxylate 
1017782-45-4 
RBCJMGWABQNGAM-UHFFFAOYSA-N 
KS-00000HC0 
ANW-42581 
ANW-56226 
MFCD00829900 
MFCD11855889 
SBB089925 
ZINC12336490 
AKOS005071974 
AKOS006342998 
Methyl 3(5)-t-butylpyrazole-4-carboxylate 
CA-0890 
MCULE-1561711335 
RP10954 
RTR-000435 
AJ-60912 
AK-29744 
TR-000435 
TR-064400 
4CH-007829 
FT-0707651 
methyl 3-tert-butyl-1H-pyrazole-4-carboxylate 
methyl 3-(tert-butyl)pyrazole-4-carboxylate 
ST24031008 
Methyl 3(5)-tert-butylpyrazole-4-carboxylate 
A-4129 
J-522102 
I14-31156 
1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-, methyl ester 
methyl 5-tert-butyl-1H-pyrazole-4-carboxylate 
SCHEMBL717700 
ethyltertbutylpyrazolecarboxylate 
CTK6I8850 
CTK8B3480 
DTXSID80639998 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A