
 CHEMBL3819352

 60 63  0  0  0  0  0  0  0  0999 V2000
    2.6835    4.7189   -0.0136 C   0  0  0  0  0
    3.8905    4.0094   -0.2875 O   0  0  0  0  0
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    7.4405    2.4764   -4.8784 C   0  0  0  0  0
    5.5221    1.9065   -1.2268 C   0  0  0  0  0
    4.6195    1.1555   -0.4960 C   0  0  0  0  0
    5.2771   -0.0420   -0.1483 C   0  0  0  0  0
    6.5376   -0.0510   -0.6191 N   0  0  0  0  0
    6.7326    1.2159   -1.0946 N   0  0  0  0  0
    8.0736    1.6590   -1.3307 C   0  0  0  0  0
    9.0839    0.7022   -1.5385 C   0  0  0  0  0
   10.3955    1.1082   -1.7964 C   0  0  0  0  0
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    9.7225    3.4210   -1.5845 C   0  0  0  0  0
    8.4064    3.0222   -1.3327 C   0  0  0  0  0
   11.9575    2.8518   -2.0740 F   0  0  0  0  0
    4.6842   -1.1776    0.5725 C   0  0  0  0  0
    3.5998   -1.0928    1.1445 O   0  0  0  0  0
    5.4331   -2.3287    0.5260 N   0  0  0  0  0
    4.9912   -3.5755    1.1142 C   0  0  0  0  0
    5.8964   -4.0368    2.2713 C   0  0  0  0  0
    5.9882   -3.0138    3.4171 C   0  0  0  0  0
    4.7012   -2.9139    4.2328 C   0  0  0  0  0
    4.2710   -4.2762    4.7661 C   0  0  0  0  0
    4.1557   -5.3131    3.6530 C   0  0  0  0  0
    5.4354   -5.3996    2.8201 C   0  0  0  0  0
    2.9013    5.7677    0.2106 H   0  0  0  0  0
    2.2253    4.2748    0.8735 H   0  0  0  0  0
    1.9617    4.6345   -0.8349 H   0  0  0  0  0
    5.8901    4.5000   -5.1275 H   0  0  0  0  0
    4.5214    6.2983   -4.2000 H   0  0  0  0  0
    3.5647    6.1159   -1.9612 H   0  0  0  0  0
    6.9319    2.5974   -5.8399 H   0  0  0  0  0
    8.1171    1.6214   -4.9632 H   0  0  0  0  0
    8.0469    3.3574   -4.6406 H   0  0  0  0  0
    3.5806    1.3887   -0.3089 H   0  0  0  0  0
    8.8552   -0.3612   -1.5320 H   0  0  0  0  0
   11.1760    0.3761   -1.9786 H   0  0  0  0  0
    9.9898    4.4728   -1.5897 H   0  0  0  0  0
    7.6705    3.7902   -1.1150 H   0  0  0  0  0
    6.2992   -2.2761   -0.0027 H   0  0  0  0  0
    5.0157   -4.3202    0.3104 H   0  0  0  0  0
    3.9491   -3.4835    1.4338 H   0  0  0  0  0
    6.9074   -4.1635    1.8616 H   0  0  0  0  0
    6.2620   -2.0239    3.0372 H   0  0  0  0  0
    6.8032   -3.3162    4.0882 H   0  0  0  0  0
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    3.8990   -2.4886    3.6197 H   0  0  0  0  0
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    3.3104   -4.1825    5.2853 H   0  0  0  0  0
    3.9381   -6.2939    4.0908 H   0  0  0  0  0
    3.3048   -5.0644    3.0078 H   0  0  0  0  0
    6.2338   -5.8124    3.4501 H   0  0  0  0  0
    5.2901   -6.1117    1.9984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
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 10 40  1  0  0  0
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 32 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3819352

>  <PubChem CID>
118568919

>  <Formula>
C25H28FN3O3

>  <Molecular Weight>
437.515000

>  <IUPAC Name>
N-(cyclohexylmethyl)-5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)NCC4CCCCC4

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)NCC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H28FN3O3/c1-31-22-9-6-10-23(32-2)24(22)21-15-20(25(30)27-16-17-7-4-3-5-8-17)28-29(21)19-13-11-18(26)12-14-19/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,27,30)

>  <InChI Key>
AUKIVLCMXATZDC-UHFFFAOYSA-N

