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1134-50-5,MFCD00514518
Catalog No.:AA0008D7
1134-50-5 | 1-Phenyl-1h-pyrazole-4-carboxylic acid
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250mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0008D7
Chemical Name:
1-Phenyl-1h-pyrazole-4-carboxylic acid
CAS Number:
1134-50-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00514518
IUPAC Name:
1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
InChI Key:
ZROILLPDIUNLSE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1ccccc1
Properties
Computed Properties
 
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
1-Phenyl-1H-pyrazole-4-carboxylic acid 
1134-50-5 
Pyrazole, 1 
1-Phenyl-1H-pyrazole-4-carboxylicacid 
akos pao-0321 
AC1L3RYD 
AC1Q73XN 
ACMC-1C9E6 
SCHEMBL70281 
5-25-04-00056 (Beilstein Handbook Reference) 
1-phenylpyrazole-4-carboxylic 
asinex-reag bas 16289592 
1-Phenylpyrazole-4-carboxylic acid 
CHEMBL406105 
BDBM21615 
CTK0H8017 
DTXSID20150399 
1-phenyl-pyrazole-4-carboxylicaci 
HMS1741L17 
HMS3604M12 
1-phenyl-4-pyrazolecarboxylic acid 
ACT07623 
ALBB-000149 
Pyrazole-4-carboxylic acid, 1-phenyl- 
KS-00003KT5 
ZINC4218283 
ANW-72862 
BBL012453 
SBB014249 
STK414996 
AKOS000206849 
AB06399 
AS06559 
CM10524 
BRN 0139486 
DB08790 
FS-3391 
MCULE-7197599645 
RP03570 
RTR-045335 
VP20045 
1H-Pyrazole-4-carboxylicacid, 1-phenyl- 
AJ-49034 
AK-32875 
AN-48688 
1H-Pyrazole-4-carboxylic acid, 1-phenyl- 
BAS 16289592 
BR-32875 
1-Phenyl-1H-pyrazole-4-carboxylic acid # 
AB0034836 
LS-128381 
ST2408862 
ST4133997 
TR-045335 
4CH-012733 
AM20020222 
ZROILLPDIUNLSE-UHFFFAOYSA-N 
BB 0219785 
FT-0649573 
X9057 
EN300-14398 
C-1240 
1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-PHENYL 
514P518 
W-204816 
Z99601182 
1-phenyl-1h-pyrazole-4-carboxylic acid(saltdata: free) 
MFCD00514518 
ZZA 
Lioresal 
1H-Pyrazole-4-carboxylic acid 
C10H8N2O2 
C10-H8-N2-O2 
CID121026 
1-Methoxy-1-methylamino-2-nitroethylene 
A2307 
beta-(Aminomethyl)-4-chlorobenzenepropanoic acid 
1-(4-AMINOPHENOXY)-3-(1H-IMIDAZOL-1-YL)-2-PROPANOL 
1-Phenyl-1h-pyrazol-4-carboxylic acid 
1-phenylpyrazole-4-carboxylate 
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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