Home Other Building Blocks 2-{3-cyano-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

2-{3-cyano-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

CAS No.:
1118787-65-7
Catalog Number:
AG019UFU
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
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Product Description
Catalog Number:
AG019UFU
Chemical Name:
2-{3-cyano-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CAS Number:
1118787-65-7
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
MDL Number:
MFCD11839861
IUPAC Name:
2-(3-cyano-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
InChI:
InChI=1S/C10H8N4O3/c1-5-7(2-8(15)16)10(17)14-9(13-5)6(3-11)4-12-14/h4,12H,2H2,1H3,(H,15,16)
InChI Key:
NRIOBYXLDZBMQW-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nc(C)c(c2O)CC(=O)O
Properties
Complexity:
561  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.06g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.199g/mol
Monoisotopic Mass:
232.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties