
 BDBM50331965

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M  END

>  <Chemical Name>
BDBM50331965

>  <PubChem CID>
91933609

>  <Formula>
C25H30N4O

>  <Molecular Weight>
402.542000

>  <IUPAC Name>
N-(1-adamantyl)-7,7-dimethyl-5-phenyl-6H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CC(=NC2=C(C=NN21)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

>  <Isomeric SMILES>
CC1(CC(=NC2=C(C=NN21)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C25H30N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18H,8-14H2,1-2H3,(H,28,30)

>  <InChI Key>
BXPUDMBSRPQHNB-UHFFFAOYSA-N

