
 SCHEMBL14150876

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -1.4739   -0.4179    5.1371 N   0  0  0  0  0
   -0.5309    0.5582    4.8833 C   0  0  0  0  0
    0.1034    0.6842    3.8424 O   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14150876

>  <PubChem CID>
71086935

>  <Formula>
C21H19F3N4O3

>  <Molecular Weight>
432.403000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C21H19F3N4O3/c22-17-8-13(19-11-25-6-7-30-19)4-5-18(17)27-20(29)14-10-26-28(12-14)15-2-1-3-16(9-15)31-21(23)24/h1-5,8-10,12,19,21,25H,6-7,11H2,(H,27,29)/t19-/m1/s1

>  <InChI Key>
AYSYQXMTYDSFRX-LJQANCHMSA-N

