
 SCHEMBL14152753

 47 50  0  0  0  0  0  0  0  0999 V2000
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   -0.6454   -2.3581    3.8484 C   0  0  0  0  0
   -0.5415   -1.0469    4.3187 C   0  0  0  0  0
   -0.3611   -0.0241    3.3869 C   0  0  0  0  0
   -0.2971   -0.2952    2.0145 C   0  0  0  0  0
   -0.6359   -0.8262    5.7088 N   0  0  0  0  0
   -0.6318    0.3944    6.3602 C   0  0  0  0  0
   -0.4940    1.4954    5.8370 O   0  0  0  0  0
   -0.8519    0.2917    7.8146 C   0  0  0  0  0
   -0.8814   -0.8740    8.4930 N   0  0  0  0  0
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   -0.6307   -4.8111   11.3668 H   0  0  0  0  0
   -0.5990   -3.1465    9.5583 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14152753

>  <PubChem CID>
71087915

>  <Formula>
C21H19N5O2

>  <Molecular Weight>
373.416000

>  <IUPAC Name>
1-(4-cyanophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

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

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

>  <InChI Key>
AQQSPVUKZPSXRJ-HXUWFJFHSA-N

