
 CHEMBL1214946

 43 45  0  0  0  0  0  0  0  0999 V2000
   11.5843   -2.1318   -4.8909 C   0  0  0  0  0
   11.5678   -2.4740   -3.4888 N   0  0  0  0  0
   12.4495   -2.0682   -2.5402 C   0  0  0  0  0
   12.0015   -2.6138   -1.3615 C   0  0  0  0  0
   10.8209   -3.3517   -1.6889 C   0  0  0  0  0
   10.5926   -3.2630   -3.0169 N   0  0  0  0  0
    9.9938   -4.1541   -0.7535 C   0  0  0  0  0
   10.4267   -4.4201    0.3717 O   0  0  0  0  0
    8.7180   -4.6396   -1.1297 N   0  0  0  0  0
    7.8859   -4.0300   -2.1758 C   0  0  0  0  0
    6.7389   -4.9482   -2.6365 C   0  0  0  0  0
    5.9049   -5.5132   -1.5551 N   0  0  0  0  0
    6.8057   -6.1965   -0.6011 C   0  0  0  0  0
    7.9759   -5.3408   -0.0766 C   0  0  0  0  0
    5.0798   -4.5004   -0.8667 C   0  0  0  0  0
    4.1698   -3.7422   -1.8285 C   0  0  0  0  0
    4.3543   -2.5425   -2.0466 O   0  0  0  0  0
    3.0446   -4.4435   -2.5217 C   0  0  0  0  0
    2.8164   -5.8205   -2.3979 C   0  0  0  0  0
    1.7660   -6.4235   -3.0966 C   0  0  0  0  0
    0.9438   -5.6514   -3.9090 C   0  0  0  0  0
    1.1495   -4.2844   -4.0388 C   0  0  0  0  0
    2.2004   -3.6800   -3.3463 C   0  0  0  0  0
   -0.0569   -6.2352   -4.5801 F   0  0  0  0  0
   12.7378   -2.4130    0.1549 Cl  0  0  0  0  0
   12.5675   -1.7358   -5.1557 H   0  0  0  0  0
   10.8129   -1.3770   -5.0642 H   0  0  0  0  0
   11.3772   -3.0321   -5.4749 H   0  0  0  0  0
   13.2993   -1.4405   -2.7660 H   0  0  0  0  0
    8.4594   -3.7932   -3.0662 H   0  0  0  0  0
    7.4973   -3.0866   -1.7758 H   0  0  0  0  0
    6.1225   -4.4253   -3.3767 H   0  0  0  0  0
    7.1769   -5.7932   -3.1858 H   0  0  0  0  0
    6.2298   -6.5929    0.2443 H   0  0  0  0  0
    7.2226   -7.0761   -1.1095 H   0  0  0  0  0
    7.6108   -4.5810    0.6252 H   0  0  0  0  0
    8.6582   -5.9922    0.4822 H   0  0  0  0  0
    5.6905   -3.7572   -0.3404 H   0  0  0  0  0
    4.4446   -4.9718   -0.1069 H   0  0  0  0  0
    3.4520   -6.4510   -1.7824 H   0  0  0  0  0
    1.5900   -7.4922   -3.0173 H   0  0  0  0  0
    0.4981   -3.6980   -4.6800 H   0  0  0  0  0
    2.3620   -2.6087   -3.4571 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  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  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 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1214946

>  <PubChem CID>
24810867

>  <Formula>
C17H18ClFN4O2

>  <Molecular Weight>
364.805000

>  <IUPAC Name>
2-[4-(4-chloro-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F)Cl

>  <Isomeric SMILES>
CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC(=O)C3=CC=C(C=C3)F)Cl

>  <InChI Std. ID>
InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3

>  <InChI Key>
QUDDUNFBOHGRTM-UHFFFAOYSA-N

