
 SCHEMBL15579228

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M  END

>  <Chemical Name>
SCHEMBL15579228

>  <PubChem CID>
73442150

>  <Formula>
C21H19N5O2

>  <Molecular Weight>
373.416000

>  <IUPAC Name>
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)C#N

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3)C4=CC=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C21H19N5O2/c22-11-15-1-7-19(8-2-15)26-14-17(12-24-26)21(27)25-18-5-3-16(4-6-18)20-13-23-9-10-28-20/h1-8,12,14,20,23H,9-10,13H2,(H,25,27)/t20-/m1/s1

>  <InChI Key>
AGYDXVUPZCTRLR-HXUWFJFHSA-N

