N-(5-Cyclobutyl-1H-pyrazol-3-yl)-4-(dimethylamino)benzeneacetamide
C17H22N4O
865317-32-4 Copyright (C) 2024 ACS
 22 24  0  0  0  0  0  0  0  0999 V2000
    9.3358    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1069    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0765    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3369    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8306    2.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6386    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6078    4.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8354    2.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8045    3.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
865317-32-4

> <cas.index.name>
Benzeneacetamide, N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-(dimethylamino)-

> <molecular.formula>
C17H22N4O

> <molecular.weight>
298.38

> <boiling.point.predicted>
585.589±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.251±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.305±0.10    Most Acidic Temp: 25 °C

$$$$
