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M  END

>  <Chemical Name>
MLS001073551

>  <PubChem CID>
24794275

>  <Formula>
C21H27F2N3O2

>  <Molecular Weight>
391.463000

>  <IUPAC Name>
[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CC1=CC(=NN1)C(=O)N2CCCC(C2)(CC3=C(C=C(C=C3)F)F)CO

>  <Isomeric SMILES>
CC(C)CC1=CC(=NN1)C(=O)N2CCCC(C2)(CC3=C(C=C(C=C3)F)F)CO

>  <InChI Std. ID>
InChI=1S/C21H27F2N3O2/c1-14(2)8-17-10-19(25-24-17)20(28)26-7-3-6-21(12-26,13-27)11-15-4-5-16(22)9-18(15)23/h4-5,9-10,14,27H,3,6-8,11-13H2,1-2H3,(H,24,25)

>  <InChI Key>
DEUXYPJVDMMKOO-UHFFFAOYSA-N

