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Home Carboxys 1H-Pyrazole-5-carboxylicacid, 3-phenyl-

1H-Pyrazole-5-carboxylicacid, 3-phenyl-

CAS No.:
1134-49-2
Catalog Number:
AG007S5I
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$133
- +
5g
≥ 99% (HPLC)
1 week
United States
$355
- +
10g
≥ 99% (HPLC)
1 week
United States
$637
- +
Product Description
Catalog Number:
AG007S5I
Chemical Name:
1H-Pyrazole-5-carboxylicacid, 3-phenyl-
CAS Number:
1134-49-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD27977196
IUPAC Name:
3-phenyl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key:
QBPUOAJBMXXBNU-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]nc(c1)c1ccccc1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Pyrazole derivatives as partial agonists for the nicotinic acid receptor. Journal of medicinal chemistry 20030828
Properties