
 4035-38-5

 38 41  0  0  0  0  0  0  0  0999 V2000
   -0.9927    1.4440   -0.1806 C   0  0  0  0  0
   -1.6370    0.2233   -0.8396 C   0  0  0  0  0
   -0.7737   -0.8621   -0.3640 N   0  0  0  0  0
    0.4492   -0.4160    0.0614 N   0  0  0  0  0
    0.3683    0.8806    0.1280 C   0  0  0  0  0
    1.5029    1.7531    0.5133 C   0  0  0  0  0
    2.7660    1.1814    0.7152 C   0  0  0  0  0
    3.8564    1.9848    1.0620 C   0  0  0  0  0
    3.6854    3.3597    1.2074 C   0  0  0  0  0
    2.4321    3.9379    1.0135 C   0  0  0  0  0
    1.3396    3.1357    0.6681 C   0  0  0  0  0
    5.0261    4.3513    1.6284 Cl  0  0  0  0  0
   -1.0359   -2.2218   -0.5337 C   0  0  0  0  0
   -2.2338   -2.6913   -1.0989 C   0  0  0  0  0
   -2.4886   -4.0591   -1.2576 C   0  0  0  0  0
   -1.5485   -4.9957   -0.8449 C   0  0  0  0  0
   -0.3561   -4.5638   -0.2754 C   0  0  0  0  0
   -0.1080   -3.1939   -0.1237 C   0  0  0  0  0
   -1.6892    0.4149   -2.3256 C   0  0  0  0  0
   -0.8268    0.1026   -3.3576 C   0  0  0  0  0
   -1.4460    0.5526   -4.5467 C   0  0  0  0  0
   -2.6442    1.1102   -4.1676 C   0  0  0  0  0
   -2.8003    1.0363   -2.8206 O   0  0  0  0  0
   -1.4856    1.6878    0.7673 H   0  0  0  0  0
   -0.9531    2.3279   -0.8223 H   0  0  0  0  0
   -2.6569    0.1075   -0.4516 H   0  0  0  0  0
    2.9097    0.1082    0.6004 H   0  0  0  0  0
    4.8327    1.5311    1.2143 H   0  0  0  0  0
    2.2988    5.0106    1.1279 H   0  0  0  0  0
    0.3753    3.6150    0.5282 H   0  0  0  0  0
   -3.0005   -2.0002   -1.4364 H   0  0  0  0  0
   -3.4240   -4.3858   -1.7042 H   0  0  0  0  0
   -1.7446   -6.0573   -0.9652 H   0  0  0  0  0
    0.3850   -5.2854    0.0548 H   0  0  0  0  0
    0.8309   -2.8814    0.3284 H   0  0  0  0  0
    0.1273   -0.3971   -3.2506 H   0  0  0  0  0
   -1.0681    0.4758   -5.5564 H   0  0  0  0  0
   -3.4567    1.5767   -4.7073 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 30  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
4035-38-5

>  <PubChem CID>
2834912

>  <Formula>
C19H15ClN2O

>  <Molecular Weight>
322.792000

>  <IUPAC Name>
5-(4-chlorophenyl)-3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazole

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CO4

>  <Isomeric SMILES>
C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C19H15ClN2O/c20-15-10-8-14(9-11-15)17-13-18(19-7-4-12-23-19)22(21-17)16-5-2-1-3-6-16/h1-12,18H,13H2

>  <InChI Key>
AFDOVMFLHLZNFH-UHFFFAOYSA-N

