
 MLS000762858

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M  END

>  <Chemical Name>
MLS000762858

>  <PubChem CID>
2035190

>  <Formula>
C21H28ClN5

>  <Molecular Weight>
385.940000

>  <IUPAC Name>
N-[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCCN(C)C)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCCN(C)C)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3

>  <InChI Key>
DRIZMJQNTPKFOD-UHFFFAOYSA-N

