
 CHEMBL3633943

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.7798   -0.0328    0.1146 C   0  0  0  0  0
    2.2803   -0.0869    0.0515 C   0  0  0  0  0
    2.8765   -1.1488   -0.0613 O   0  0  0  0  0
    3.0064    1.1701    0.1135 N   0  0  0  0  0
    2.2838    2.4636    0.2358 C   0  0  0  0  0
    3.1217    3.6256   -0.3033 C   0  0  0  0  0
    4.4993    3.6623    0.3469 C   0  0  0  0  0
    5.1210    2.3596    0.2540 N   0  0  0  0  0
    4.4060    1.1995    0.1455 C   0  0  0  0  0
    5.3528    0.2067    0.0801 C   0  0  0  0  0
    6.6081    0.8761    0.1652 C   0  0  0  0  0
    6.4496    2.2072    0.2688 N   0  0  0  0  0
    7.9824    0.2716    0.1373 C   0  0  0  0  0
    7.9388   -1.1300    0.4248 O   0  0  0  0  0
    9.1140   -1.8173    0.2908 C   0  0  0  0  0
    8.9740   -3.2057    0.2140 C   0  0  0  0  0
   10.0950   -4.0252    0.0741 C   0  0  0  0  0
   11.3664   -3.4593    0.0235 C   0  0  0  0  0
   11.5139   -2.0761    0.1164 C   0  0  0  0  0
   10.3908   -1.2545    0.2509 C   0  0  0  0  0
    0.4561    0.5433    0.9846 H   0  0  0  0  0
    0.3852   -1.0482    0.2164 H   0  0  0  0  0
    0.3853    0.4012   -0.8073 H   0  0  0  0  0
    1.3517    2.4256   -0.3356 H   0  0  0  0  0
    2.0405    2.6186    1.2933 H   0  0  0  0  0
    2.6014    4.5744   -0.1348 H   0  0  0  0  0
    3.2366    3.5064   -1.3886 H   0  0  0  0  0
    4.4328    3.9103    1.4118 H   0  0  0  0  0
    5.1455    4.3912   -0.1526 H   0  0  0  0  0
    5.2093   -0.8606   -0.0124 H   0  0  0  0  0
    8.5992    0.7815    0.8885 H   0  0  0  0  0
    8.4059    0.4336   -0.8620 H   0  0  0  0  0
    7.9842   -3.6525    0.2556 H   0  0  0  0  0
    9.9746   -5.1031    0.0064 H   0  0  0  0  0
   12.2417   -4.0953   -0.0827 H   0  0  0  0  0
   12.5079   -1.6362    0.0881 H   0  0  0  0  0
   10.5522   -0.1856    0.3347 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633943

>  <PubChem CID>
122195692

>  <Formula>
C15H17N3O2

>  <Molecular Weight>
271.320000

>  <IUPAC Name>
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1CCCN2C1=CC(=N2)COC3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)N1CCCN2C1=CC(=N2)COC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3

>  <InChI Key>
RVWOJJBVBVIEID-UHFFFAOYSA-N

