
 CHEMBL2349537

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.1373    0.8226    0.2085 C   0  0  0  0  0
    3.4666    0.3335   -0.2802 C   0  0  0  0  0
    3.7254   -0.9851   -0.1304 N   0  0  0  0  0
    4.9064   -1.4681   -0.5539 C   0  0  0  0  0
    5.8680   -0.6515   -1.1367 C   0  0  0  0  0
    5.5861    0.7012   -1.3137 C   0  0  0  0  0
    4.3643    1.2042   -0.8832 C   0  0  0  0  0
    5.2019   -2.8232   -0.4162 N   0  0  0  0  0
    4.3156   -3.8040   -0.0219 C   0  0  0  0  0
    3.1278   -3.6675    0.2437 O   0  0  0  0  0
    4.9622   -5.1389   -0.0033 C   0  0  0  0  0
    6.2785   -5.2810   -0.2506 N   0  0  0  0  0
    6.4926   -6.6102   -0.1814 N   0  0  0  0  0
    5.3538   -7.3543    0.0508 C   0  0  0  0  0
    4.3452   -6.4074    0.2242 C   0  0  0  0  0
    2.9062   -6.6334    0.5358 C   0  0  0  0  0
    5.2680   -8.8245    0.0489 C   0  0  0  0  0
    6.2135   -9.6282    0.7022 C   0  0  0  0  0
    6.1052  -11.0186    0.6576 C   0  0  0  0  0
    5.0467  -11.6272   -0.0028 C   0  0  0  0  0
    4.0863  -10.8528   -0.6378 C   0  0  0  0  0
    4.2070   -9.4595   -0.6220 C   0  0  0  0  0
    4.9436  -12.9623   -0.0324 F   0  0  0  0  0
    7.0396  -11.7651    1.2629 F   0  0  0  0  0
    7.8436   -7.0818   -0.3928 C   0  0  0  0  0
    1.6784    0.0887    0.8794 H   0  0  0  0  0
    1.4635    0.9880   -0.6373 H   0  0  0  0  0
    2.2521    1.7577    0.7660 H   0  0  0  0  0
    6.8177   -1.0524   -1.4734 H   0  0  0  0  0
    6.3125    1.3559   -1.7861 H   0  0  0  0  0
    4.1223    2.2538   -1.0118 H   0  0  0  0  0
    6.1252   -3.1619   -0.6617 H   0  0  0  0  0
    2.5293   -5.8850    1.2388 H   0  0  0  0  0
    2.7409   -7.6090    1.0020 H   0  0  0  0  0
    2.3100   -6.5822   -0.3811 H   0  0  0  0  0
    7.0375   -9.2010    1.2630 H   0  0  0  0  0
    3.2543  -11.3323   -1.1442 H   0  0  0  0  0
    3.4543   -8.8699   -1.1431 H   0  0  0  0  0
    7.8261   -7.9509   -1.0531 H   0  0  0  0  0
    8.2723   -7.3298    0.5814 H   0  0  0  0  0
    8.4357   -6.2883   -0.8576 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 25 39  1  0  0  0
 25 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2349537

>  <PubChem CID>
71579833

>  <Formula>
C18H16F2N4O

>  <Molecular Weight>
342.350000

>  <IUPAC Name>
5-(3,4-difluorophenyl)-1,4-dimethyl-N-(6-methylpyridin-2-yl)pyrazole-3-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC(=CC=C1)NC(=O)C2=NN(C(=C2C)C3=CC(=C(C=C3)F)F)C

>  <Isomeric SMILES>
CC1=NC(=CC=C1)NC(=O)C2=NN(C(=C2C)C3=CC(=C(C=C3)F)F)C

>  <InChI Std. ID>
InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)12-7-8-13(19)14(20)9-12/h4-9H,1-3H3,(H,21,22,25)

>  <InChI Key>
ASDDLGURTBAWBW-UHFFFAOYSA-N

