
 arylpyrazole, 22

 51 54  0  0  0  0  0  0  0  0999 V2000
    4.6963    2.2092   -1.7852 C   0  0  0  0  0
    4.4322    1.1578   -0.7555 C   0  0  0  0  0
    3.6646    1.4392    0.3677 C   0  0  0  0  0
    3.4148    0.5525    1.3568 N   0  0  0  0  0
    3.9628   -0.6810    1.2156 C   0  0  0  0  0
    4.7333   -1.0861    0.1281 C   0  0  0  0  0
    4.9459   -0.1364   -0.8786 C   0  0  0  0  0
    5.3960   -2.3960    0.0710 C   0  0  0  0  0
    6.7667   -2.6439   -0.0310 C   0  0  0  0  0
    6.8915   -4.0534    0.0042 C   0  0  0  0  0
    5.7098   -4.6444    0.1653 N   0  0  0  0  0
    4.7857   -3.6547    0.2238 N   0  0  0  0  0
    3.3873   -3.9701    0.3692 C   0  0  0  0  0
    2.9472   -5.2092    0.8574 C   0  0  0  0  0
    1.5673   -5.4383    0.9439 C   0  0  0  0  0
    0.6662   -4.4539    0.5577 C   0  0  0  0  0
    1.1757   -3.2561    0.1019 C   0  0  0  0  0
    2.4990   -2.9971    0.0023 N   0  0  0  0  0
    3.9310   -6.4845    1.4972 Cl  0  0  0  0  0
    8.1445   -4.8823   -0.0484 C   0  0  0  0  0
    8.5389   -5.1035   -1.4456 N   0  0  0  0  0
    9.7770   -5.8646   -1.5505 C   0  0  0  0  0
    9.6888   -7.3015   -1.0370 C   0  0  0  0  0
   10.9318   -7.9448   -1.6317 C   0  0  0  0  0
   11.0609   -7.3282   -3.0215 C   0  0  0  0  0
   10.2024   -6.0596   -3.0101 C   0  0  0  0  0
    7.8907   -1.6710   -0.0916 C   0  0  0  0  0
    5.4562    1.8825   -2.5040 H   0  0  0  0  0
    5.0712    3.1214   -1.3077 H   0  0  0  0  0
    3.7802    2.4430   -2.3363 H   0  0  0  0  0
    3.2230    2.4211    0.5173 H   0  0  0  0  0
    3.7626   -1.3534    2.0461 H   0  0  0  0  0
    5.5392   -0.4007   -1.7511 H   0  0  0  0  0
    1.1893   -6.3837    1.3299 H   0  0  0  0  0
   -0.4043   -4.6165    0.6251 H   0  0  0  0  0
    0.5189   -2.4445   -0.2038 H   0  0  0  0  0
    7.9552   -5.8365    0.4556 H   0  0  0  0  0
    8.9418   -4.3675    0.5007 H   0  0  0  0  0
    8.6351   -4.2069   -1.9164 H   0  0  0  0  0
   10.5841   -5.3351   -1.0252 H   0  0  0  0  0
    8.7876   -7.8017   -1.4130 H   0  0  0  0  0
    9.6872   -7.3647    0.0556 H   0  0  0  0  0
   11.8101   -7.6848   -1.0286 H   0  0  0  0  0
   10.8599   -9.0358   -1.6641 H   0  0  0  0  0
   12.1074   -7.1068   -3.2539 H   0  0  0  0  0
   10.6943   -8.0210   -3.7866 H   0  0  0  0  0
   10.7526   -5.1936   -3.3925 H   0  0  0  0  0
    9.3332   -6.2086   -3.6628 H   0  0  0  0  0
    7.5857   -0.6968   -0.4781 H   0  0  0  0  0
    8.6921   -2.0385   -0.7389 H   0  0  0  0  0
    8.3035   -1.5212    0.9109 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 33  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 22 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 43  1  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
arylpyrazole, 22

>  <PubChem CID>
44143422

>  <Formula>
C21H24ClN5

>  <Molecular Weight>
381.908000

>  <IUPAC Name>
N-[[1-(3-chloropyridin-2-yl)-4-methyl-5-(5-methylpyridin-3-yl)pyrazol-3-yl]methyl]cyclopentanamine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1)C2=C(C(=NN2C3=C(C=CC=N3)Cl)CNC4CCCC4)C

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C2=C(C(=NN2C3=C(C=CC=N3)Cl)CNC4CCCC4)C

>  <InChI Std. ID>
InChI=1S/C21H24ClN5/c1-14-10-16(12-23-11-14)20-15(2)19(13-25-17-6-3-4-7-17)26-27(20)21-18(22)8-5-9-24-21/h5,8-12,17,25H,3-4,6-7,13H2,1-2H3

>  <InChI Key>
ATNVLHUUAGRLAR-UHFFFAOYSA-N

