Home Aldehydes 100305-93-9
100305-93-9,MFCD03130042
Catalog No.:AA0001HN
100305-93-9 | 1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-
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1g
95%
in stock  
$150.00
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5g
95%
in stock  
$420.00
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10g
95%
in stock  
$834.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0001HN
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-
CAS Number:
100305-93-9
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD03130042
IUPAC Name:
2-propan-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3
InChI Key:
JGQABCBGCJORGR-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C(C)C
Properties
Computed Properties
 
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
100305-93-9 
1-Isopropyl-1H-pyrazole-5-carbaldehyde 
CTK7I0153 
DTXSID50651809 
ANW-14225 
BBL029888 
MFCD03130042 
SBB026816 
STK507045 
ZINC20417382 
2-propan-2-ylpyrazole-3-carbaldehyde 
AKOS000300659 
2-Isopropyl-2H-pyrazole-3-carbaldehyde 
AB13775 
MCULE-6691766399 
RTR-055569 
AJ-77416 
AK-88143 
CJ-16736 
DS-18436 
TR-055569 
CS-0044859 
FT-0689756 
2-Isopropylpyrazole-3-carbaldehyde 
ST45135569 
Z6253 
B-6210 
I14-25100 
C7H10N2O 
5-FORMYL-1-ISOPROPYLPYRAZOLE 
1-(propan-2-yl)-1H-pyrazole-5-carbaldehyde 
1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)- 
1-(methylethyl)pyrazole-5-carbaldehyde 
ACMC-2097oj 
1H-Pyrazole-5-carboxaldehyde,1-(1-methylethyl)- 
SCHEMBL18145746 
Literature
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