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1007542-01-9,MFCD06260701
Catalog No.:AA0002QR
1007542-01-9 | 1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$294.00   $206.00
- +
5g
95%
in stock  
$945.00   $662.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002QR
Chemical Name:
1-Isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1007542-01-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD06260701
IUPAC Name:
3,5-dimethyl-1-propan-2-ylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c1-5(2)11-7(4)8(9(12)13)6(3)10-11/h5H,1-4H3,(H,12,13)
InChI Key:
YLPYLNUXWGDQAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)nn(c1C)C(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:
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:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1-isopropyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid 
1007542-01-9 
BBL030491 
MFCD06260701 
SBB046535 
STK502903 
ZINC11920459 
AKOS002659347 
ACN-038289 
MCULE-4909817442 
RTR-033787 
AJ-60540 
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid 
TR-033787 
BB 0240794 
FT-0678947 
Y-2173 
1-isopropyl-3,5-dimethylpyrazole-4-carboxylic acid 
I04-3968 
3,5-dimethyl-1-(methylethyl)pyrazole-4-carboxylic acid 
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(1-methylethyl)- 
C9H14N2O2 
CID5230054 
3,5-dimethyl-1-propan-2-ylpyrazole-4-carboxylic acid 
(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)amine 
3,5-dimethyl-1-propan-2-yl-pyrazole-4-carboxylic Acid 
7007-08-1 
AC1NQWWX 
SCHEMBL8271720 
CTK3J9221 
DTXSID00411718 
ALBB-004081 
7260AC 
Literature
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