2-[[3-(4-Fluorophenyl)-1H-pyrazol-4-yl]methylene]hydrazinecarboxamide
C11H10FN5O
1223877-07-3 Copyright (C) 2025 ACS
 18 19  0  0  0  0  0  0  0  0999 V2000
    4.3940    3.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    3.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6091    1.9822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4560    3.0172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1212    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7142    5.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9601    7.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    6.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    7.9490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    3.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    3.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1222    3.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <cas.rn>
1223877-07-3

> <ca.index.name>
Hydrazinecarboxamide, 2-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-

> <molecular.formula>
C11H10FN5O

> <smiles.canonical>
O=C(N)NN=CC1=CNN=C1C=2C=CC(F)=CC2

> <molecular.weight>
247.23

> <melting.point.experimental>
196-200 °C    Solvent: Ethanol 50%

> <density.predicted>
1.467±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
9.779±0.10    Most Acidic Temp: 25 °C

$$$$
