5-[1-(1,1-Dimethylethyl)-1H-pyrazol-4-yl]-4,7-dihydro-6-(1-methylethyl)-7-oxo...
C17H20N6O
1628210-26-3 Copyright (C) 2025 ACS
 24 26  0  0  0  0  0  0  0  0999 V2000
    4.7474    8.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2874    8.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    9.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6674    8.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9032    3.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082    5.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1490    2.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7474    5.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    6.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9774    4.1573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    6.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    4.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6674    5.4909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611    5.1707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2874    5.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1926    4.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1926    6.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6572    4.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6572    6.2609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
> <cas.rn>
1628210-26-3

> <cas.index.name>
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5-[1-(1,1-dimethylethyl)-1H-pyrazol-4-yl]-4,7-dihydro-6-(1-methylethyl)-7-oxo-

> <molecular.formula>
C17H20N6O

> <molecular.weight>
324.38

> <boiling.point.predicted>
526.974±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.290±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.966±0.10    Most Basic Temp: 25 °C

$$$$
