
 CHEMBL2408177

 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.2164   -0.6411    0.3349 C   0  0  0  0  0
   -2.1331    0.7848   -0.2168 C   0  0  0  0  0
   -0.8201    1.4535    0.1925 C   0  0  0  0  0
    0.3142    0.5621    0.0395 N   0  0  0  0  0
    0.2395   -0.7936   -0.0979 C   0  0  0  0  0
    1.5456   -1.2242   -0.1456 C   0  0  0  0  0
    2.3476   -0.0527   -0.0166 C   0  0  0  0  0
    1.5658    1.0346    0.1106 N   0  0  0  0  0
    3.8119    0.0501   -0.0047 C   0  0  0  0  0
    4.4369    1.2302    0.4316 C   0  0  0  0  0
    5.8308    1.3411    0.4512 C   0  0  0  0  0
    6.6136    0.2704    0.0303 C   0  0  0  0  0
    6.0150   -0.9075   -0.4101 C   0  0  0  0  0
    4.6196   -1.0171   -0.4273 C   0  0  0  0  0
    8.3287    0.4021    0.0512 Cl  0  0  0  0  0
   -1.0644   -1.5029   -0.1928 C   0  0  0  0  0
   -3.1737   -1.0970    0.0586 H   0  0  0  0  0
   -2.1807   -0.6068    1.4314 H   0  0  0  0  0
   -2.9793    1.3813    0.1413 H   0  0  0  0  0
   -2.2030    0.7510   -1.3115 H   0  0  0  0  0
   -0.8475    1.7426    1.2491 H   0  0  0  0  0
   -0.6360    2.3456   -0.4150 H   0  0  0  0  0
    1.8765   -2.2469   -0.2534 H   0  0  0  0  0
    3.8348    2.0750    0.7626 H   0  0  0  0  0
    6.2914    2.2634    0.7942 H   0  0  0  0  0
    6.6247   -1.7428   -0.7439 H   0  0  0  0  0
    4.1792   -1.9434   -0.7860 H   0  0  0  0  0
   -1.2504   -1.7558   -1.2438 H   0  0  0  0  0
   -1.0259   -2.4448    0.3658 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5 16  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2408177

>  <PubChem CID>
71814122

>  <Formula>
C13H13ClN2

>  <Molecular Weight>
232.711000

>  <IUPAC Name>
2-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C1

>  <Isomeric SMILES>
C1CCN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C1

>  <InChI Std. ID>
InChI=1S/C13H13ClN2/c14-11-6-4-10(5-7-11)13-9-12-3-1-2-8-16(12)15-13/h4-7,9H,1-3,8H2

>  <InChI Key>
AOLPOAZLXDTQSZ-UHFFFAOYSA-N

