
 CHEMBL3641694

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.9102    2.1728    1.5484 C   0  0  0  0  0
    7.7354    0.8397    1.0257 N   0  0  0  0  0
    8.7075   -0.0925    0.8289 C   0  0  0  0  0
    8.0568   -1.2035    0.3495 C   0  0  0  0  0
    6.6858   -0.8516    0.3088 C   0  0  0  0  0
    6.5063    0.4192    0.6810 N   0  0  0  0  0
    5.6802   -1.6454   -0.1153 N   0  0  0  0  0
    5.5226   -3.0452   -0.0433 C   0  0  0  0  0
    6.2662   -3.8502    0.8249 C   0  0  0  0  0
    6.1285   -5.2423    0.8235 C   0  0  0  0  0
    5.2504   -5.8768   -0.0615 C   0  0  0  0  0
    4.4954   -5.0696   -0.9276 C   0  0  0  0  0
    4.6324   -3.6762   -0.9195 C   0  0  0  0  0
    5.0851   -7.3884   -0.1290 C   0  0  0  0  0
    6.0797   -8.2718    0.6784 C   0  0  0  0  0
    5.8258   -8.2975    2.1324 N   0  0  0  0  0
    4.4128   -8.6348    2.3622 C   0  0  0  0  0
    3.4614   -7.7187    1.5798 C   0  0  0  0  0
    3.7234   -7.7632    0.1697 O   0  0  0  0  0
    8.9771    2.3809    1.6641 H   0  0  0  0  0
    7.4114    2.2271    2.5192 H   0  0  0  0  0
    7.4668    2.8832    0.8463 H   0  0  0  0  0
    9.7506    0.1017    1.0340 H   0  0  0  0  0
    8.5081   -2.1410    0.0580 H   0  0  0  0  0
    4.7952   -1.1687   -0.2490 H   0  0  0  0  0
    6.9423   -3.4041    1.5482 H   0  0  0  0  0
    6.7165   -5.8122    1.5386 H   0  0  0  0  0
    3.7932   -5.5296   -1.6207 H   0  0  0  0  0
    4.0470   -3.0870   -1.6211 H   0  0  0  0  0
    5.2396   -7.6545   -1.1836 H   0  0  0  0  0
    7.1117   -7.9526    0.4968 H   0  0  0  0  0
    5.9974   -9.3028    0.3110 H   0  0  0  0  0
    6.4172   -9.0048    2.5667 H   0  0  0  0  0
    4.2445   -9.6763    2.0618 H   0  0  0  0  0
    4.1958   -8.5595    3.4327 H   0  0  0  0  0
    2.4298   -8.0548    1.7270 H   0  0  0  0  0
    3.5191   -6.6840    1.9370 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 29  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3641694

>  <PubChem CID>
68325752

>  <Formula>
C14H18N4O

>  <Molecular Weight>
258.325000

>  <IUPAC Name>
1-methyl-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C=CC(=N1)NC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
CN1C=CC(=N1)NC2=CC=C(C=C2)C3CNCCO3

>  <InChI Std. ID>
InChI=1S/C14H18N4O/c1-18-8-6-14(17-18)16-12-4-2-11(3-5-12)13-10-15-7-9-19-13/h2-6,8,13,15H,7,9-10H2,1H3,(H,16,17)

>  <InChI Key>
CPAWBSUVPJCERW-UHFFFAOYSA-N

