Home Amines 1003011-02-6
1003011-02-6,MFCD20702903
Catalog No.:AA0001G3
1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester | 1003011-02-6
Pack Size
Purity
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100mg
95.0%
1 week  
$164.00
- +
250mg
95.0%
1 week  
$222.00
- +
500mg
95.0%
1 week  
$386.00
- +
1g
95.0%
1 week  
$505.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001G3
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
CAS Number:
1003011-02-6
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD20702903
IUPAC Name:
tert-butyl 5-aminopyrazole-1-carboxylate
InChI:
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6(9)4-5-10-11/h4-5H,9H2,1-3H3
InChI Key:
QYQBAJXCDXDNJU-UHFFFAOYSA-N
SMILES:
O=C(n1nccc1N)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
tert-butyl 5-amino-1H-pyrazole-1-carboxylate 
1003011-02-6 
AS-53945 
t-Butyl 5-amino-1H-pyrazole-1-carboxylate 
CS-0040421 
Z2379802689 
1H-Pyrazole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester 
5-amino-pyrazole-1-carboxylic acid tert-butyl ester 
SCHEMBL1864917 
QYQBAJXCDXDNJU-UHFFFAOYSA-N 
MFCD20702903 
AKOS028113423 
ZINC117359259 
KS-0000086R 
Literature
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