Home Carboxys 5-phenyl-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid

5-phenyl-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid

CAS No.:
80884-14-6
Catalog Number:
AG019UNB
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
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Product Description
Catalog Number:
AG019UNB
Chemical Name:
5-phenyl-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid
CAS Number:
80884-14-6
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD09808578
IUPAC Name:
5-phenyl-1-pyridin-2-ylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C15H11N3O2/c19-15(20)12-10-13(11-6-2-1-3-7-11)18(17-12)14-8-4-5-9-16-14/h1-10H,(H,19,20)
InChI Key:
KMSCSNRWOVXRNL-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)c1ccccc1)c1ccccn1
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties