
 MLS-0380219.0001

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M  END

>  <Chemical Name>
MLS-0380219.0001

>  <PubChem CID>
24793944

>  <Formula>
C18H17F2N5O

>  <Molecular Weight>
357.365000

>  <IUPAC Name>
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=CC=N1)C(=O)NC2CCCC3=C2C=NN3C4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
CN1C(=CC=N1)C(=O)NC2CCCC3=C2C=NN3C4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C18H17F2N5O/c1-24-17(7-8-21-24)18(26)23-14-3-2-4-15-12(14)10-22-25(15)16-6-5-11(19)9-13(16)20/h5-10,14H,2-4H2,1H3,(H,23,26)

>  <InChI Key>
GXLKSVCDXUMIAV-UHFFFAOYSA-N

