
 CHEMBL198174

 41 42  0  0  0  0  0  0  0  0999 V2000
    0.5649    3.0357   -0.2370 C   0  0  0  0  0
    1.9253    3.0222   -0.9205 C   0  0  0  0  0
    2.8862    2.0435   -0.2303 C   0  0  0  0  0
    4.2614    1.9901   -0.7794 N   0  0  0  0  0
    4.3015    1.4920   -2.1672 C   0  0  0  0  0
    3.7205    0.0782   -2.3476 C   0  0  0  0  0
    3.8805   -0.4027   -3.7843 C   0  0  0  0  0
    5.0280    3.2578   -0.5614 C   0  0  0  0  0
    6.4894    3.1833   -1.0852 C   0  0  0  0  0
    7.2273    4.5024   -0.8662 C   0  0  0  0  0
    7.1379    4.9217    0.5120 N   0  0  0  0  0
    6.1430    4.5603    1.3683 C   0  0  0  0  0
    6.4731    5.1241    2.5905 C   0  0  0  0  0
    7.6804    5.8191    2.3308 C   0  0  0  0  0
    8.0772    5.7078    1.0612 N   0  0  0  0  0
    5.7692    5.0080    3.8423 C   0  0  0  0  0
    4.7019    4.4182    3.9813 O   0  0  0  0  0
    5.0338    3.6533    0.9517 C   0  0  0  0  0
   -0.1102    3.7256   -0.7533 H   0  0  0  0  0
    0.6531    3.3631    0.8033 H   0  0  0  0  0
    0.1087    2.0407   -0.2487 H   0  0  0  0  0
    2.3271    4.0406   -0.9018 H   0  0  0  0  0
    1.7829    2.7448   -1.9703 H   0  0  0  0  0
    2.4484    1.0390   -0.2464 H   0  0  0  0  0
    2.9218    2.2698    0.8416 H   0  0  0  0  0
    5.3392    1.4071   -2.4971 H   0  0  0  0  0
    3.8101    2.1950   -2.8503 H   0  0  0  0  0
    2.6569    0.0461   -2.1021 H   0  0  0  0  0
    4.2386   -0.6199   -1.6794 H   0  0  0  0  0
    3.2951    0.2210   -4.4695 H   0  0  0  0  0
    3.5278   -1.4336   -3.8804 H   0  0  0  0  0
    4.9281   -0.3714   -4.1014 H   0  0  0  0  0
    4.5421    4.0660   -1.1234 H   0  0  0  0  0
    6.5259    2.9846   -2.1598 H   0  0  0  0  0
    7.0202    2.3684   -0.5772 H   0  0  0  0  0
    6.7905    5.3033   -1.4724 H   0  0  0  0  0
    8.2851    4.3960   -1.1280 H   0  0  0  0  0
    8.2884    6.3957    3.0175 H   0  0  0  0  0
    6.2550    5.4952    4.7044 H   0  0  0  0  0
    5.1100    2.7467    1.5662 H   0  0  0  0  0
    4.0780    4.1414    1.1992 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL198174

>  <PubChem CID>
11694483

>  <Formula>
C14H23N3O

>  <Molecular Weight>
249.358000

>  <IUPAC Name>
5-(dipropylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbaldehyde

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1CCN2C(=C(C=N2)C=O)C1

>  <Isomeric SMILES>
CCCN(CCC)C1CCN2C(=C(C=N2)C=O)C1

>  <InChI Std. ID>
InChI=1S/C14H23N3O/c1-3-6-16(7-4-2)13-5-8-17-14(9-13)12(11-18)10-15-17/h10-11,13H,3-9H2,1-2H3

>  <InChI Key>
GFJQMJYOLGYPBB-UHFFFAOYSA-N

