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5-Amino-3-(4-methoxyphenyl)pyrazole
5-Amino-3-(4-methoxyphenyl)pyrazole ID: CHH11009
CAS:19541-95-8
Supplier:ChemiK Co.,Ltd.

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SMILES:[nH]1nc(cc1N)c1ccc(cc1)OC	
FORMULA: C10H11N3O
MASS: 189.2138
EXACT MASS: 189.0902120
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    0.8937     0.0000 
   C   3    1.4461     0.8937     0.0000 
   C   4    1.4461     1.4461     0.8938     0.0000 
   C   5    0.8937     1.4461     1.4461     0.8937     0.0000 
   C   6    2.3127     1.5927     0.8938     1.5927     2.3127     0.0000 
   C   7    2.7355     1.8666     1.5480     2.3923     2.9777     0.8937 
   C   8    3.6245     2.7602     2.3647     3.1396     3.8106     1.5480 
   C   9    4.0811     3.2871     2.6813     3.2871     4.0811     1.7875 
   C  10    3.8105     3.1396     2.3647     2.7602     3.6245     1.5480 
   C  11    2.9777     2.3922     1.5480     1.8666     2.7355     0.8937 
   O  12    4.9704     4.1636     3.5750     4.1636     4.9704     2.6812 
   C  13    5.4071     4.5475     4.0957     4.7873     5.5336     3.2224 
   N  14    1.5926     2.3126     2.3127     1.5927     0.8938     3.1462 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8938     0.0000 
   C   9    1.5481     0.8938     0.0000 
   C  10    1.7875     1.5480     0.8938     0.0000 
   C  11    1.5480     1.7875     1.5481     0.8938     0.0000 
   O  12    2.3647     1.5480     0.8937     1.5480     2.3647     0.0000 
   C  13    2.6813     1.7875     1.5480     2.3646     3.0961     0.8938 
   N  14    3.8569     4.6714     4.8776     4.3373     3.4447     5.7561 

              C  13      N  14
              ----------------------
   C  13    0.0000 
   N  14    6.3645     0.0000 



ATOMIC CHARGES
   N   1   -0.1295509821
   N   2   -0.1465969055
   C   3    0.1058302427
   C   4    0.0603081432
   C   5    0.1925689773
   C   6    0.0196981715
   C   7    0.0046667383
   C   8    0.0369495647
   C   9    0.1387351294
   C  10    0.0369495647
   C  11    0.0046667383
   O  12   -0.4714269474
   C  13    0.2524665708
   N  14   -0.1052650061


BOND ANGLES
   2    1    5  Nar  Nar  Car    108.001
   1    2    3  Nar  Nar  Car    107.999
   2    3    4  Nar  Car  Car    108.003
   2    3    6  Nar  Car  Car    126.001
   4    3    6  Car  Car  Car    125.997
   3    4    5  Car  Car  Car    107.996
   1    5    4  Nar  Car  Car    108.001
   4    5   14  Car  Car  Npl    126.002
   1    5   14  Nar  Car  Npl    125.997
   7    6   11  Car  Car  Car    120.008
   3    6    7  Car  Car  Car    119.996
   3    6   11  Car  Car  Car    119.996
   6    7    8  Car  Car  Car    119.996
   7    8    9  Car  Car  Car    120.002
   8    9   10  Car  Car  Car    119.997
   8    9   12  Car  Car   O3    120.002
  10    9   12  Car  Car   O3    120.002
   9   10   11  Car  Car  Car    120.002
   6   11   10  Car  Car  Car    119.996
   9   12   13  Car   O3   C3    120.002


TORSION ANGLES
   5    1    2    3      0.026
   1    2    3    4      0.026
   1    2    3    6    179.974
   2    3    4    5      0.026
   6    3    4    5    179.974
   3    4    5    1      0.026
   3    4    5   14    179.974
   2    1    5    4      0.026
   2    1    5   14    179.974
  11    6    7    8      0.026
   3    6    7    8    179.974
   6    7    8    9      0.026
   7    8    9   10      0.026
   7    8    9   12    179.974
   8    9   10   11      0.026
  12    9   10   11    179.974
   9   10   11    6      0.026
   7    6   11   10      0.026
   3    6   11   10    179.974
   8    9   12   13      0.026
  10    9   12   13    179.974
   2    3    6    7      0.026
   2    3    6   11    179.974
   4    3    6    7    179.974
   4    3    6   11      0.026