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10199-57-2,MFCD00124910
Catalog No.:AA000648
10199-57-2 | 5-Methyl-1-phenylpyrazole-3-carboxylic acid
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250mg
97%
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$52.00   $36.00
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1g
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$128.00   $89.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000648
Chemical Name:
5-Methyl-1-phenylpyrazole-3-carboxylic acid
CAS Number:
10199-57-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00124910
IUPAC Name:
5-methyl-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
JAUNWUAOFPNAKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid 
10199-57-2 
ZINC75561 
DTXSID80351360 
JAUNWUAOFPNAKK-UHFFFAOYSA-N 
HMS1529F12 
CCG-1656 
0533AA 
BBL012427 
MFCD00124910 
SBB045236 
STK392496 
5-methyl-1-phenylpyrazole-3-carboxylic acid 
AKOS000272888 
AM80889 
FS-2105 
MCULE-8899827823 
KS-00000F75 
NCGC00176390-01 
AJ-10356 
AK126014 
AB0110125 
DB-058746 
Maybridge4_002938 
TR-000473 
BB 0219153 
FT-0678163 
ST24044857 
ST50532723 
EN300-41466 
K-0271 
1-Phenyl-5-methyl-1H-pyrazole-3-carboxylic acid 
1H-Pyrazole-3-carboxylicacid, 5-methyl-1-phenyl- 
AE-641/13303057 
AC1Q5UWA 
1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl- 
I04-4558 
SR-01000638324-1 
BRD-K08658685-001-01-2 
F2164-0026 
C11H10N2O2 
AR-1G8793 
CID698388 
ACN-046606 
5-METHYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLICACID 
AC1LF6G5 
102115-02-6 
AC1Q2H9D 
SCHEMBL1259296 
CHEMBL3960344 
CTK0H1732 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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