
 3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.2831   -1.3169   -0.5833 C   0  0  0  0  0
    1.7888   -1.3088   -0.4927 C   0  0  0  0  0
    2.3898   -2.4472   -0.3151 N   0  0  0  0  0
    3.7561   -2.4178   -0.2044 C   0  0  0  0  0
    4.7008   -3.4214   -0.0465 C   0  0  0  0  0
    5.9434   -2.7301    0.0423 C   0  0  0  0  0
    5.8052   -1.4090   -0.1134 N   0  0  0  0  0
    4.4668   -1.2163   -0.2669 N   0  0  0  0  0
    3.8101    0.0225   -0.4970 C   0  0  0  0  0
    2.4706    0.0134   -0.6114 C   0  0  0  0  0
    4.6081    1.1714   -0.6001 N   0  0  0  0  0
    4.3504    2.2266   -1.5810 C   0  0  0  0  0
    5.3810    3.3335   -1.5014 C   0  0  0  0  0
    5.5213    4.0824   -0.3337 C   0  0  0  0  0
    6.4527    5.1166   -0.3044 C   0  0  0  0  0
    7.2189    5.3753   -1.4341 C   0  0  0  0  0
    7.0229    4.5832   -2.5520 C   0  0  0  0  0
    6.1245    3.5757   -2.6122 N   0  0  0  0  0
    7.3017   -3.2821    0.2854 C   0  0  0  0  0
    4.3884   -4.8484   -0.0090 C   0  0  0  0  0
    3.2081   -5.3211    0.5858 C   0  0  0  0  0
    2.8934   -6.6845    0.5798 C   0  0  0  0  0
    3.7666   -7.5926   -0.0095 C   0  0  0  0  0
    4.9486   -7.1483   -0.5948 C   0  0  0  0  0
    5.2531   -5.7819   -0.6000 C   0  0  0  0  0
    3.3807   -9.2687   -0.0240 Cl  0  0  0  0  0
   -0.1163   -0.3145   -0.7567 H   0  0  0  0  0
   -0.1300   -1.7041    0.3529 H   0  0  0  0  0
   -0.0259   -1.9684   -1.4056 H   0  0  0  0  0
    1.8773    0.9008   -0.7733 H   0  0  0  0  0
    5.5986    0.8922   -0.6032 H   0  0  0  0  0
    3.3608    2.6696   -1.4195 H   0  0  0  0  0
    4.3605    1.7947   -2.5891 H   0  0  0  0  0
    4.9156    3.8605    0.5397 H   0  0  0  0  0
    6.5792    5.7142    0.5937 H   0  0  0  0  0
    7.9525    6.1731   -1.4434 H   0  0  0  0  0
    7.5991    4.7433   -3.4590 H   0  0  0  0  0
    8.0043   -2.4960    0.5828 H   0  0  0  0  0
    7.6937   -3.7527   -0.6213 H   0  0  0  0  0
    7.2804   -4.0258    1.0884 H   0  0  0  0  0
    2.5084   -4.6305    1.0518 H   0  0  0  0  0
    1.9638   -7.0226    1.0298 H   0  0  0  0  0
    5.6308   -7.8537   -1.0617 H   0  0  0  0  0
    6.1632   -5.4620   -1.0993 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  2  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

>  <PubChem CID>
3266722

>  <Formula>
C20H18ClN5

>  <Molecular Weight>
363.849000

>  <IUPAC Name>
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCC3=CC=CC=N3)C)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C(=NN2C(=C1)NCC3=CC=CC=N3)C)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H18ClN5/c1-13-11-18(23-12-17-5-3-4-10-22-17)26-20(24-13)19(14(2)25-26)15-6-8-16(21)9-7-15/h3-11,23H,12H2,1-2H3

>  <InChI Key>
GGELKXVVOOVMHD-UHFFFAOYSA-N

