
 CHEMBL556686

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.3075   -6.4685    0.0546 C   0  0  0  0  0
    1.3380   -5.4213    0.4592 C   0  0  0  0  0
    0.7971   -4.0088    0.2345 C   0  0  0  0  0
   -0.4877   -3.7669    0.9029 N   0  0  0  0  0
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   -0.1056   -2.2681    2.7712 C   0  0  0  0  0
    0.0223   -1.2640    2.0734 O   0  0  0  0  0
   -0.0160   -2.1993    4.2376 C   0  0  0  0  0
   -0.1421   -3.2672    5.0391 N   0  0  0  0  0
   -0.0140   -2.7906    6.3135 N   0  0  0  0  0
    0.2019   -1.4065    6.3236 C   0  0  0  0  0
    0.2096   -1.0343    4.9904 C   0  0  0  0  0
    0.4345   -0.5137    7.4709 C   0  0  0  0  0
    1.2168   -0.8721    8.5726 C   0  0  0  0  0
    1.3913    0.0160    9.6440 C   0  0  0  0  0
    0.8230    1.2977    9.6375 C   0  0  0  0  0
    0.0928    1.6690    8.5026 C   0  0  0  0  0
   -0.1058    0.7793    7.4441 C   0  0  0  0  0
    1.0089    2.2676   10.7826 C   0  0  0  0  0
   -0.2136    2.8215   11.4840 C   0  0  0  0  0
    0.6859    1.8606   12.2000 C   0  0  0  0  0
   -0.2243   -3.6845    7.4049 C   0  0  0  0  0
    0.2255   -5.0192    7.3705 C   0  0  0  0  0
    0.0061   -5.8611    8.4700 C   0  0  0  0  0
   -0.6599   -5.3869    9.5957 C   0  0  0  0  0
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   -0.9202   -3.2315    8.5408 C   0  0  0  0  0
   -0.8979   -6.4208   10.9492 Cl  0  0  0  0  0
    1.1776   -5.7026    6.0933 Cl  0  0  0  0  0
    0.1467   -6.4238   -1.0303 H   0  0  0  0  0
    0.6788   -7.4724    0.2845 H   0  0  0  0  0
    2.2547   -5.5617   -0.1244 H   0  0  0  0  0
    1.6064   -5.5567    1.5145 H   0  0  0  0  0
    1.5444   -3.2729    0.5566 H   0  0  0  0  0
    0.6634   -3.8423   -0.8419 H   0  0  0  0  0
   -2.4080   -4.6117    1.1625 H   0  0  0  0  0
   -1.7867   -4.6476   -0.4715 H   0  0  0  0  0
   -0.8910   -6.4280    1.8457 H   0  0  0  0  0
   -1.7724   -6.9155    0.4003 H   0  0  0  0  0
   -0.4203   -4.3026    2.9667 H   0  0  0  0  0
    0.3706   -0.0399    4.5942 H   0  0  0  0  0
    1.7034   -1.8425    8.6239 H   0  0  0  0  0
    1.9865   -0.2989   10.5000 H   0  0  0  0  0
   -0.3319    2.6689    8.4391 H   0  0  0  0  0
   -0.6929    1.1187    6.5913 H   0  0  0  0  0
    1.8415    2.9592   10.6663 H   0  0  0  0  0
   -1.1950    2.4645   11.1907 H   0  0  0  0  0
   -0.1949    3.8618   11.7842 H   0  0  0  0  0
    1.3129    2.2522   12.9939 H   0  0  0  0  0
    0.3066    0.8634   12.3903 H   0  0  0  0  0
    0.3749   -6.8848    8.4555 H   0  0  0  0  0
   -1.6572   -3.7080   10.5102 H   0  0  0  0  0
   -1.3383   -2.2282    8.5907 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 21 23  1  0  0  0
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 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
 26 53  1  0  0  0
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 29 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL556686

>  <PubChem CID>
44190749

>  <Formula>
C24H24Cl2N4O

>  <Molecular Weight>
455.383000

>  <IUPAC Name>
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)NC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)C4CC4)C5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CCN(CC1)NC(=O)C2=NN(C(=C2)C3=CC=C(C=C3)C4CC4)C5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H24Cl2N4O/c25-19-10-11-22(20(26)14-19)30-23(18-8-6-17(7-9-18)16-4-5-16)15-21(27-30)24(31)28-29-12-2-1-3-13-29/h6-11,14-16H,1-5,12-13H2,(H,28,31)

>  <InChI Key>
BGVFLXMEMBTJLQ-UHFFFAOYSA-N

