
 CHEMBL2182057

 43 45  0  0  0  0  0  0  0  0999 V2000
    7.4909    5.1105   -4.0328 C   0  0  0  0  0
    6.5438    5.1825   -2.8373 C   0  0  0  0  0
    5.3256    6.0323   -3.1516 C   0  0  0  0  0
    4.1918    5.4589   -3.7595 C   0  0  0  0  0
    3.0739    6.2351   -4.0801 C   0  0  0  0  0
    3.0693    7.5992   -3.8100 C   0  0  0  0  0
    4.1839    8.1913   -3.2230 C   0  0  0  0  0
    5.3044    7.4191   -2.8991 C   0  0  0  0  0
    6.6515    8.2440   -2.1981 Cl  0  0  0  0  0
    6.1610    3.8246   -2.5244 O   0  0  0  0  0
    6.2519    3.4935   -1.2211 C   0  0  0  0  0
    6.5599    4.2157   -0.2889 O   0  0  0  0  0
    6.0254    2.1046   -1.0296 N   0  0  0  0  0
    6.1643    1.5051    0.2154 C   0  0  0  0  0
    6.8110    0.3005    0.4640 C   0  0  0  0  0
    6.6501    0.1186    1.8617 C   0  0  0  0  0
    5.9586    1.0947    2.4447 N   0  0  0  0  0
    5.6875    1.9435    1.4349 N   0  0  0  0  0
    4.8462    3.0794    1.7334 C   0  0  0  0  0
    7.5862   -0.5290   -0.4605 C   0  0  0  0  0
    8.2059   -0.0057   -1.6074 C   0  0  0  0  0
    8.9908   -0.8166   -2.4349 C   0  0  0  0  0
    9.1930   -2.1484   -2.1029 C   0  0  0  0  0
    8.6139   -2.6895   -0.9654 C   0  0  0  0  0
    7.8063   -1.8860   -0.1528 C   0  0  0  0  0
    9.9708   -2.9121   -2.8793 F   0  0  0  0  0
    8.3216    4.4300   -3.8154 H   0  0  0  0  0
    7.9038    6.0944   -4.2778 H   0  0  0  0  0
    6.9854    4.7184   -4.9222 H   0  0  0  0  0
    7.1025    5.6118   -2.0000 H   0  0  0  0  0
    4.1694    4.3993   -4.0059 H   0  0  0  0  0
    2.2075    5.7756   -4.5518 H   0  0  0  0  0
    2.2019    8.2056   -4.0652 H   0  0  0  0  0
    4.1780    9.2617   -3.0257 H   0  0  0  0  0
    5.9574    1.5224   -1.8522 H   0  0  0  0  0
    7.0255   -0.6829    2.4883 H   0  0  0  0  0
    4.4662    3.5258    0.8139 H   0  0  0  0  0
    5.4393    3.8000    2.3012 H   0  0  0  0  0
    3.9956    2.7352    2.3270 H   0  0  0  0  0
    8.1424    1.0458   -1.8646 H   0  0  0  0  0
    9.4702   -0.4114   -3.3212 H   0  0  0  0  0
    8.8026   -3.7276   -0.7089 H   0  0  0  0  0
    7.3707   -2.3418    0.7346 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2182057

>  <PubChem CID>
71461124

>  <Formula>
C19H17ClFN3O2

>  <Molecular Weight>
373.812000

>  <IUPAC Name>
1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-2-methylpyrazol-3-yl]carbamate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1=CC=CC=C1Cl)OC(=O)NC2=C(C=NN2C)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CC(C1=CC=CC=C1Cl)OC(=O)NC2=C(C=NN2C)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H17ClFN3O2/c1-12(15-5-3-4-6-17(15)20)26-19(25)23-18-16(11-22-24(18)2)13-7-9-14(21)10-8-13/h3-12H,1-2H3,(H,23,25)

>  <InChI Key>
GHHHFOOMBYUUEO-UHFFFAOYSA-N

