Home Carboxys 5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

CAS No.:
1343189-81-0
Catalog Number:
AG01C1D8
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG01C1D8
Chemical Name:
5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
1343189-81-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD18892122
IUPAC Name:
5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c1-5-6(8(12)13)4-11-7(10-5)2-3-9-11/h2-4H,1H3,(H,12,13)
InChI Key:
PPBUAKHBHXCHJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn2nccc2nc1C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties