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1022931-73-2,MFCD11044975
Catalog No.:AA00071Z
1022931-73-2 | tert-Butyl 3-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate
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500mg
97%
1 week  
$431.00   $302.00
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1g
97%
1 week  
$609.00   $427.00
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5g
97%
1 week  
$1,984.00   $1,389.00
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Technical Information
Catalog Number:
AA00071Z
Chemical Name:
tert-Butyl 3-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate
CAS Number:
1022931-73-2
Molecular Formula:
C12H16F3N3O2
Molecular Weight:
291.2695
MDL Number:
MFCD11044975
IUPAC Name:
tert-butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
InChI:
InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-8-7(6-18)9(17-16-8)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
InChI Key:
MQTQWJKOXQOZDC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(n[nH]2)C(F)(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.119g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.274g/mol
Monoisotopic Mass:
291.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1022931-73-2 
tert-butyl 3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate 
ZX-RL000129 
7621AC 
MFCD11044975 
ZINC71788996 
AKOS015991497 
KF-0716 
MCULE-9455762001 
RP15819 
PC200251 
AB0301792 
tert-butyl 3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate 
CS-0080400 
Z-8517 
Z-8518 
tertbutyltrifluoromethylpyrazolocpyridinecarboxylate 
J-524509 
5-N-Boc-3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 
5-tert-butoxycarbonyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 
tert-butyl 3-(trifluoromethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate 
C12H16F3N3O2 
3-Trifluoromethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 
3-Trifluoromethyl-2,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester 
tert-Butyl 3-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate 
SCHEMBL1009435 
DTXSID10718306 
MQTQWJKOXQOZDC-UHFFFAOYSA-N 
KS-00001Q8E 
Literature
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