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1015845-75-6,MFCD08059761
Catalog No.:AA0004SJ
1015845-75-6 | 1-Ethyl-3-isobutyl-1h-pyrazole-5-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$37.00   $26.00
- +
5g
95%
in stock  
$107.00   $75.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0004SJ
Chemical Name:
1-Ethyl-3-isobutyl-1h-pyrazole-5-carboxylic acid
CAS Number:
1015845-75-6
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD08059761
IUPAC Name:
2-ethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H16N2O2/c1-4-12-9(10(13)14)6-8(11-12)5-7(2)3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key:
DZGHINKQRGJIHM-UHFFFAOYSA-N
SMILES:
CCn1nc(cc1C(=O)O)CC(C)C
Properties
Computed Properties
 
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
1015845-75-6 
1-Ethyl-3-isobutyl-1H-pyrazole-5-carboxylic acid 
STL247622 
ZINC14985120 
AKOS006280985 
MCULE-8166683219 
AJ-66323 
DB-029198 
FT-0753475 
Y-3355 
4004176-25G 
4004176-50G 
1-ethyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid 
1-Ethyl-3-isobutyl-1H-pyrazole-5-carboxylic acid, AldrichCPR 
1H-Pyrazole-5-carboxylic acid, 1-ethyl-3-(2-methylpropyl)- 
1-ETHYL-3-(2-METHYLPROPYL)-1H-PYRAZOLE-5- CARBOXYLIC ACID 
SCHEMBL2215308 
CTK3J9937 
DTXSID80646602 
BB_SC-10776 
ZX-CM002690 
BBL030886 
MFCD08059761 
Literature
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