
 CHEMBL3954579

 42 45  0  0  0  0  0  0  0  0999 V2000
   -3.2573   -0.7350   -1.0004 C   0  0  0  0  0
   -2.7213   -2.0236   -0.3624 C   0  0  0  0  0
   -1.2905   -2.0148   -0.2633 O   0  0  0  0  0
   -0.7980   -0.8744    0.4746 C   0  0  0  0  0
   -1.3627    0.4372   -0.1412 C   0  0  0  0  0
   -2.8381    0.4677   -0.2581 N   0  0  0  0  0
   -0.9688   -1.0966    1.9737 C   0  0  0  0  0
   -0.5515   -2.3199    2.5286 C   0  0  0  0  0
   -0.6705   -2.5769    3.8992 C   0  0  0  0  0
   -1.2119   -1.6146    4.7565 C   0  0  0  0  0
   -1.6099   -0.3870    4.2138 C   0  0  0  0  0
   -1.4847   -0.1283    2.8434 C   0  0  0  0  0
   -1.3486   -1.8848    6.1767 C   0  0  0  0  0
   -2.3222   -1.3458    6.9930 C   0  0  0  0  0
   -2.1230   -1.8408    8.2645 N   0  0  0  0  0
   -1.0674   -2.6953    8.2961 N   0  0  0  0  0
   -0.6124   -2.7151    7.0430 C   0  0  0  0  0
   -2.8693   -1.5503    9.4429 C   0  0  0  0  0
   -2.5078   -2.1597   10.6568 C   0  0  0  0  0
   -3.2246   -1.8837   11.8236 C   0  0  0  0  0
   -4.2979   -1.0029   11.7775 C   0  0  0  0  0
   -4.6697   -0.3916   10.5864 C   0  0  0  0  0
   -3.9574   -0.6625    9.4140 C   0  0  0  0  0
   -4.9845   -0.7381   12.8964 F   0  0  0  0  0
   -2.8971   -0.6540   -2.0332 H   0  0  0  0  0
   -4.3509   -0.7671   -1.0398 H   0  0  0  0  0
   -3.0000   -2.8820   -0.9828 H   0  0  0  0  0
   -3.1588   -2.1844    0.6299 H   0  0  0  0  0
    0.2862   -0.8547    0.3023 H   0  0  0  0  0
   -1.0253    1.3147    0.4210 H   0  0  0  0  0
   -0.9531    0.5495   -1.1538 H   0  0  0  0  0
   -3.2364    0.4079    0.6797 H   0  0  0  0  0
   -0.1327   -3.0904    1.8815 H   0  0  0  0  0
   -0.3480   -3.5442    4.2757 H   0  0  0  0  0
   -2.0099    0.3980    4.8514 H   0  0  0  0  0
   -1.7973    0.8493    2.4860 H   0  0  0  0  0
   -3.1309   -0.6675    6.7691 H   0  0  0  0  0
    0.2475   -3.3328    6.8143 H   0  0  0  0  0
   -1.6682   -2.8514   10.7082 H   0  0  0  0  0
   -2.9506   -2.3501   12.7647 H   0  0  0  0  0
   -5.5121    0.2930   10.5772 H   0  0  0  0  0
   -4.2773   -0.1652    8.5042 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3954579

>  <PubChem CID>
71656802

>  <Formula>
C19H18FN3O

>  <Molecular Weight>
323.371000

>  <IUPAC Name>
(2R)-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]morpholine

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H18FN3O/c20-17-5-7-18(8-6-17)23-13-16(11-22-23)14-1-3-15(4-2-14)19-12-21-9-10-24-19/h1-8,11,13,19,21H,9-10,12H2/t19-/m0/s1

>  <InChI Key>
ANIXSCDCEWNQJP-IBGZPJMESA-N

