832135-73-6
3-(5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID
Name3-(5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID
1Identification
【Name】
3-(5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID
【CAS】
【MDL】
MFCD04052038
【English Synonyms】
【Formula】
C11 H13 N3 O2
【MolWeight】
219.243
【Inchi】
InChI=1S/C11H13N3O2/c1-7-9(3-4-11(15)16)8(2)14-10(13-7)5-6-12-14/h5-6H,3-4H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=KKNZEDKUTOBTGU-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n2c(n1)ccn2)C)CCC(=O)O
【MOL File】
3-(5,7-DIMETHYLPYRAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)PROPANOIC ACID.cml