
 N-{4-[1-benzoyl-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

 59 62  0  0  0  0  0  0  0  0999 V2000
   11.1981    2.8652   -5.4518 C   0  0  0  0  0
   10.8612    2.2408   -4.2204 O   0  0  0  0  0
    9.6339    2.5048   -3.6666 C   0  0  0  0  0
    8.7483    3.4435   -4.2079 C   0  0  0  0  0
    7.4883    3.6301   -3.6507 C   0  0  0  0  0
    7.0941    2.8681   -2.5562 C   0  0  0  0  0
    7.9512    1.9106   -1.9749 C   0  0  0  0  0
    9.2530    1.7645   -2.5177 C   0  0  0  0  0
   10.0558    0.8325   -1.9057 O   0  0  0  0  0
   11.4628    1.0443   -1.9250 C   0  0  0  0  0
    7.3807    1.1244   -0.7899 C   0  0  0  0  0
    7.9169   -0.2858   -0.5509 C   0  0  0  0  0
    8.8057   -0.0084    0.6338 C   0  0  0  0  0
    8.5493    1.0994    1.2606 N   0  0  0  0  0
    7.6365    1.7838    0.4993 N   0  0  0  0  0
    6.8614    2.8211    1.0088 C   0  0  0  0  0
    5.8782    3.2717    0.4176 O   0  0  0  0  0
    7.1895    3.3780    2.3570 C   0  0  0  0  0
    8.5050    3.5253    2.8149 C   0  0  0  0  0
    8.7564    4.0353    4.0913 C   0  0  0  0  0
    7.6969    4.4278    4.9079 C   0  0  0  0  0
    6.3852    4.3196    4.4477 C   0  0  0  0  0
    6.1317    3.8004    3.1754 C   0  0  0  0  0
    9.8459   -0.9456    1.1022 C   0  0  0  0  0
   10.4943   -1.8152    0.2223 C   0  0  0  0  0
   11.5649   -2.5899    0.6766 C   0  0  0  0  0
   11.9767   -2.4994    2.0073 C   0  0  0  0  0
   11.3010   -1.6736    2.9018 C   0  0  0  0  0
   10.2459   -0.8829    2.4445 C   0  0  0  0  0
   13.0565   -3.3051    2.4711 N   0  0  0  0  0
   12.6516   -4.8508    3.0387 S   0  0  0  0  0
   11.2204   -5.0552    2.9888 O   0  0  0  0  0
   13.5714   -5.7551    2.3773 O   0  0  0  0  0
   13.1476   -4.7127    4.7386 C   0  0  0  0  0
   10.4703    2.6253   -6.2338 H   0  0  0  0  0
   12.1673    2.4688   -5.7706 H   0  0  0  0  0
   11.3076    3.9469   -5.3258 H   0  0  0  0  0
    9.0075    4.0480   -5.0704 H   0  0  0  0  0
    6.8064    4.3634   -4.0736 H   0  0  0  0  0
    6.0975    3.0318   -2.1449 H   0  0  0  0  0
   11.9001    0.6191   -2.8336 H   0  0  0  0  0
   11.8937    0.4924   -1.0844 H   0  0  0  0  0
   11.7304    2.0974   -1.7944 H   0  0  0  0  0
    6.2939    1.0488   -0.9316 H   0  0  0  0  0
    8.3879   -0.7634   -1.4080 H   0  0  0  0  0
    7.1125   -0.9418   -0.1952 H   0  0  0  0  0
    9.3438    3.2423    2.1848 H   0  0  0  0  0
    9.7800    4.1262    4.4449 H   0  0  0  0  0
    7.8942    4.8247    5.9005 H   0  0  0  0  0
    5.5591    4.6375    5.0785 H   0  0  0  0  0
    5.1053    3.7191    2.8239 H   0  0  0  0  0
   10.2169   -1.8715   -0.8257 H   0  0  0  0  0
   12.0733   -3.2546   -0.0168 H   0  0  0  0  0
   11.6006   -1.6175    3.9435 H   0  0  0  0  0
    9.7418   -0.2110    3.1372 H   0  0  0  0  0
   13.8187   -3.4065    1.7969 H   0  0  0  0  0
   14.2067   -4.4490    4.7789 H   0  0  0  0  0
   12.9904   -5.6832    5.2140 H   0  0  0  0  0
   12.5349   -3.9546    5.2289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 50  1  0  0  0
 23 51  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 54  1  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 31 34  1  0  0  0
 31 33  2  0  0  0
 31 32  2  0  0  0
 34 57  1  0  0  0
 34 58  1  0  0  0
 34 59  1  0  0  0
M  END

>  <Chemical Name>
N-{4-[1-benzoyl-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide

>  <PubChem CID>
4002152

>  <Formula>
C25H25N3O5S

>  <Molecular Weight>
479.551000

>  <IUPAC Name>
N-[4-[2-benzoyl-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C

>  <Isomeric SMILES>
COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C

>  <InChI Std. ID>
InChI=1S/C25H25N3O5S/c1-32-23-11-7-10-20(24(23)33-2)22-16-21(17-12-14-19(15-13-17)27-34(3,30)31)26-28(22)25(29)18-8-5-4-6-9-18/h4-15,22,27H,16H2,1-3H3

>  <InChI Key>
HNAOHUIEBGVNHW-UHFFFAOYSA-N

