
 CHEMBL24809

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2560    2.4676   -2.8281 C   0  0  0  0  0
    2.1656    1.8290   -1.8488 C   0  0  0  0  0
    3.4812    2.0354   -1.9153 N   0  0  0  0  0
    3.9860    1.3919   -0.8414 N   0  0  0  0  0
    3.0239    0.7035   -0.1217 C   0  0  0  0  0
    1.8321    1.0005   -0.7626 C   0  0  0  0  0
    3.2201   -0.0816    1.1010 C   0  0  0  0  0
    4.2068   -1.0724    1.1939 C   0  0  0  0  0
    4.3674   -1.8118    2.3700 C   0  0  0  0  0
    3.5216   -1.5922    3.4554 C   0  0  0  0  0
    2.5161   -0.6335    3.3668 C   0  0  0  0  0
    2.3696    0.1179    2.1977 C   0  0  0  0  0
    5.3924    1.6116   -0.4977 C   0  0  0  0  0
    6.3604    1.2941   -1.6505 C   0  0  0  0  0
    6.6190    2.4800   -2.5858 C   0  0  0  0  0
    6.9493    3.7321   -1.8900 N   0  0  0  0  0
    5.8602    4.0735   -0.9657 C   0  0  0  0  0
    5.6101    3.0080    0.0996 C   0  0  0  0  0
    8.2869    3.7013   -1.2775 C   0  0  0  0  0
    8.7366    5.0411   -0.7316 C   0  0  0  0  0
    9.2656    6.0188   -1.5864 C   0  0  0  0  0
    9.6529    7.2627   -1.0882 C   0  0  0  0  0
    9.5017    7.5527    0.2672 C   0  0  0  0  0
    8.9728    6.5919    1.1272 C   0  0  0  0  0
    8.6012    5.3417    0.6329 C   0  0  0  0  0
    0.2610    2.0146   -2.7949 H   0  0  0  0  0
    1.6424    2.3647   -3.8474 H   0  0  0  0  0
    1.1508    3.5346   -2.6048 H   0  0  0  0  0
    0.8452    0.6694   -0.4681 H   0  0  0  0  0
    4.8554   -1.2905    0.3476 H   0  0  0  0  0
    5.1449   -2.5685    2.4334 H   0  0  0  0  0
    3.6395   -2.1750    4.3654 H   0  0  0  0  0
    1.8436   -0.4706    4.2037 H   0  0  0  0  0
    1.5800    0.8636    2.1509 H   0  0  0  0  0
    5.6184    0.8966    0.2979 H   0  0  0  0  0
    5.9993    0.4399   -2.2360 H   0  0  0  0  0
    7.3205    0.9794   -1.2188 H   0  0  0  0  0
    7.4227    2.2203   -3.2868 H   0  0  0  0  0
    5.7415    2.6509   -3.2198 H   0  0  0  0  0
    6.0441    5.0395   -0.4833 H   0  0  0  0  0
    4.9448    4.2396   -1.5485 H   0  0  0  0  0
    6.4681    2.9642    0.7792 H   0  0  0  0  0
    4.7529    3.3042    0.7174 H   0  0  0  0  0
    9.0232    3.4033   -2.0365 H   0  0  0  0  0
    8.3657    2.9440   -0.4879 H   0  0  0  0  0
    9.3658    5.8126   -2.6503 H   0  0  0  0  0
   10.0623    8.0120   -1.7606 H   0  0  0  0  0
    9.7885    8.5269    0.6512 H   0  0  0  0  0
    8.8439    6.8196    2.1826 H   0  0  0  0  0
    8.1831    4.6075    1.3179 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 34  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL24809

>  <PubChem CID>
44459452

>  <Formula>
C22H25N3

>  <Molecular Weight>
331.463000

>  <IUPAC Name>
1-benzyl-4-(3-methyl-5-phenylpyrazol-1-yl)piperidine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NN(C(=C1)C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NN(C(=C1)C2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H25N3/c1-18-16-22(20-10-6-3-7-11-20)25(23-18)21-12-14-24(15-13-21)17-19-8-4-2-5-9-19/h2-11,16,21H,12-15,17H2,1H3

>  <InChI Key>
AHVVCJSEQJZGNV-UHFFFAOYSA-N

