
 D0V9LR

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.9735   -3.6600   -2.3026 C   0  0  0  0  0
    2.0537   -2.6903   -1.9058 C   0  0  0  0  0
    2.1142   -1.3919   -2.2793 C   0  0  0  0  0
    3.3399   -0.6592   -1.8279 C   0  0  0  0  0
    4.3214   -1.1321   -1.1229 N   0  0  0  0  0
    4.2350   -2.4519   -0.7944 C   0  0  0  0  0
    5.1257   -3.2974   -0.1596 C   0  0  0  0  0
    4.4325   -4.5282   -0.1023 C   0  0  0  0  0
    3.2297   -4.4875   -0.6659 N   0  0  0  0  0
    3.1124   -3.2220   -1.1415 N   0  0  0  0  0
    6.5110   -3.0586    0.3885 C   0  0  0  0  0
    7.4545   -2.2614   -0.5337 C   0  0  0  0  0
    7.4384   -0.7383   -0.3592 C   0  0  0  0  0
    7.4351   -0.2811    1.0996 C   0  0  0  0  0
    6.3320   -1.0053    1.8855 C   0  0  0  0  0
    6.4802   -2.5249    1.8293 C   0  0  0  0  0
    6.2691   -0.4655    3.5964 Cl  0  0  0  0  0
    9.0742   -0.5495    1.7964 Cl  0  0  0  0  0
    1.1504   -0.6555   -3.1403 C   0  0  0  0  0
    1.5645    0.1510   -3.9666 O   0  0  0  0  0
   -0.1793   -0.8711   -2.8943 N   0  0  0  0  0
   -1.2300   -0.1663   -3.6170 C   0  0  0  0  0
   -2.1723   -1.1275   -4.3442 C   0  0  0  0  0
   -2.8532   -1.9176   -3.3642 O   0  0  0  0  0
   -3.8104   -2.7822   -3.8203 C   0  0  0  0  0
   -4.4562   -3.5165   -2.8217 C   0  0  0  0  0
   -5.4555   -4.4357   -3.1464 C   0  0  0  0  0
   -5.8176   -4.6255   -4.4774 C   0  0  0  0  0
   -5.1793   -3.8967   -5.4793 C   0  0  0  0  0
   -4.1764   -2.9773   -5.1533 C   0  0  0  0  0
    0.4483   -3.3547   -3.2120 H   0  0  0  0  0
    0.2427   -3.7629   -1.4930 H   0  0  0  0  0
    1.3839   -4.6523   -2.5212 H   0  0  0  0  0
    3.3873    0.4023   -2.1249 H   0  0  0  0  0
    4.7677   -5.4615    0.3351 H   0  0  0  0  0
    6.9574   -4.0642    0.4509 H   0  0  0  0  0
    7.2658   -2.5070   -1.5863 H   0  0  0  0  0
    8.4793   -2.6010   -0.3309 H   0  0  0  0  0
    8.2963   -0.3076   -0.8917 H   0  0  0  0  0
    6.5618   -0.3184   -0.8568 H   0  0  0  0  0
    7.2710    0.8017    1.1368 H   0  0  0  0  0
    5.3596   -0.7228    1.4703 H   0  0  0  0  0
    7.4106   -2.8261    2.3295 H   0  0  0  0  0
    5.6699   -3.0045    2.3937 H   0  0  0  0  0
   -0.4769   -1.4757   -2.1388 H   0  0  0  0  0
   -0.7924    0.5334   -4.3360 H   0  0  0  0  0
   -1.7828    0.4078   -2.8660 H   0  0  0  0  0
   -1.5991   -1.7774   -5.0163 H   0  0  0  0  0
   -2.8956   -0.5341   -4.9160 H   0  0  0  0  0
   -4.1805   -3.3708   -1.7805 H   0  0  0  0  0
   -5.9499   -5.0007   -2.3606 H   0  0  0  0  0
   -6.5958   -5.3398   -4.7338 H   0  0  0  0  0
   -5.4626   -4.0442   -6.5186 H   0  0  0  0  0
   -3.7053   -2.4334   -5.9650 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  2  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 54  1  0  0  0
M  END

>  <Chemical Name>
D0V9LR

>  <PubChem CID>
73755156

>  <Formula>
C22H24Cl2N4O2

>  <Molecular Weight>
447.360000

>  <IUPAC Name>
3-(3,4-dichlorocyclohexyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=NC2=C(C=NN12)C3CCC(C(C3)Cl)Cl)C(=O)NCCOC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=C(C=NC2=C(C=NN12)C3CCC(C(C3)Cl)Cl)C(=O)NCCOC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H24Cl2N4O2/c1-14-17(22(29)25-9-10-30-16-5-3-2-4-6-16)12-26-21-18(13-27-28(14)21)15-7-8-19(23)20(24)11-15/h2-6,12-13,15,19-20H,7-11H2,1H3,(H,25,29)

>  <InChI Key>
BHDJYYFELGTSTL-UHFFFAOYSA-N

