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5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid

CAS No.:
51843-31-3
Catalog Number:
AG00JCUT
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
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Product Description
Catalog Number:
AG00JCUT
Chemical Name:
5-(1H-indol-3-yl)-1H-pyrazole-3-carboxylic acid
CAS Number:
51843-31-3
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD00441378
IUPAC Name:
3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,14,15)(H,16,17)
InChI Key:
LWCOJZLPIRKQIZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)c1c[nH]c2c1cccc2
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.069g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.223g/mol
Monoisotopic Mass:
227.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and biological evaluation of 3-(1H-indol-3-yl)pyrazole-5-carboxylic acid derivatives. Archives of pharmacal research 20110301
Properties