Home Other Building Blocks 3-{5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

3-{5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid

CAS No.:
2059950-54-6
Catalog Number:
AG01C0B5
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
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Product Description
Catalog Number:
AG01C0B5
Chemical Name:
3-{5,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CAS Number:
2059950-54-6
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD30535667
IUPAC Name:
3-(5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)propanoic acid
InChI:
InChI=1S/C11H17N3O2/c1-7-9(3-4-11(15)16)8(2)14-10(13-7)5-6-12-14/h5-9,13H,3-4H2,1-2H3,(H,15,16)
InChI Key:
CBMOPDGKSHYFHW-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1C(C)Nc2n(C1C)ncc2
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties