Home Other Building Blocks 2-{5,7-dimethyl-2-oxo-1H,2H,4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

2-{5,7-dimethyl-2-oxo-1H,2H,4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid

CAS No.:
1305710-90-0
Catalog Number:
AG01AGPO
Molecular Formula:
C10H15N3O3
Molecular Weight:
225.2444
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Product Description
Catalog Number:
AG01AGPO
Chemical Name:
2-{5,7-dimethyl-2-oxo-1H,2H,4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}acetic acid
CAS Number:
1305710-90-0
Molecular Formula:
C10H15N3O3
Molecular Weight:
225.2444
MDL Number:
MFCD18089520
IUPAC Name:
2-(5,7-dimethyl-2-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
InChI:
InChI=1S/C10H15N3O3/c1-5-7(3-10(15)16)6(2)13-8(11-5)4-9(14)12-13/h4-7,11H,3H2,1-2H3,(H,12,14)(H,15,16)
InChI Key:
IQVCQXBOZQQVLK-UHFFFAOYSA-N
SMILES:
OC(=O)CC1C(C)Nc2n(C1C)[nH]c(=O)c2
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.248g/mol
Monoisotopic Mass:
225.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties