
 3-(4-bromophenyl)-1-(cyclopropylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.0754   -0.1493   -1.7437 C   0  0  0  0  0
    2.3806   -0.2496   -2.4779 C   0  0  0  0  0
    2.3745   -0.1524   -0.9693 C   0  0  0  0  0
    2.7720   -1.3391   -0.1559 C   0  0  0  0  0
    2.2103   -2.4216   -0.3047 O   0  0  0  0  0
    3.8287   -1.1785    0.7201 N   0  0  0  0  0
    4.3182   -2.2556    1.5795 C   0  0  0  0  0
    5.5161   -1.6140    2.2806 C   0  0  0  0  0
    5.5748   -0.2829    1.5786 C   0  0  0  0  0
    4.6129   -0.0552    0.7361 N   0  0  0  0  0
    6.6533    0.6965    1.8588 C   0  0  0  0  0
    6.6674    1.9115    1.1603 C   0  0  0  0  0
    7.6715    2.8531    1.4012 C   0  0  0  0  0
    8.6629    2.5800    2.3410 C   0  0  0  0  0
    8.6587    1.3750    3.0420 C   0  0  0  0  0
    7.6540    0.4319    2.8021 C   0  0  0  0  0
   10.0233    3.8503    2.6680 Br  0  0  0  0  0
    3.2933   -2.7544    2.6329 C   0  0  0  0  0
    2.2843   -3.4721    2.0980 F   0  0  0  0  0
    3.8999   -3.5555    3.5481 F   0  0  0  0  0
    2.7463   -1.7242    3.3233 F   0  0  0  0  0
    4.8041   -3.3064    0.7283 O   0  0  0  0  0
    0.5255    0.7824   -1.8059 H   0  0  0  0  0
    0.4463   -1.0321   -1.7040 H   0  0  0  0  0
    2.7210    0.6133   -3.0377 H   0  0  0  0  0
    2.6315   -1.2021   -2.9319 H   0  0  0  0  0
    2.6635    0.8063   -0.5484 H   0  0  0  0  0
    6.4445   -2.1739    2.1357 H   0  0  0  0  0
    5.3428   -1.4337    3.3466 H   0  0  0  0  0
    5.8990    2.1345    0.4224 H   0  0  0  0  0
    7.6704    3.7908    0.8509 H   0  0  0  0  0
    9.4325    1.1601    3.7754 H   0  0  0  0  0
    7.6784   -0.4978    3.3633 H   0  0  0  0  0
    4.0257   -3.5711    0.1944 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 22 34  1  0  0  0
M  END

>  <Chemical Name>
3-(4-bromophenyl)-1-(cyclopropylcarbonyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

>  <PubChem CID>
3782913

>  <Formula>
C14H12BrF3N2O2

>  <Molecular Weight>
377.161000

>  <IUPAC Name>
[3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-cyclopropylmethanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CC1C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C14H12BrF3N2O2/c15-10-5-3-8(4-6-10)11-7-13(22,14(16,17)18)20(19-11)12(21)9-1-2-9/h3-6,9,22H,1-2,7H2

>  <InChI Key>
AACMTVUEMCPCHE-UHFFFAOYSA-N

