
 SMR000015635

 38 40  0  0  0  0  0  0  0  0999 V2000
    5.9424   -2.1687    1.3344 C   0  0  0  0  0
    5.2395   -3.4748    1.2627 C   0  0  0  0  0
    5.6926   -4.7341    1.5923 C   0  0  0  0  0
    4.6161   -5.5985    1.3311 C   0  0  0  0  0
    3.5540   -4.9391    0.8645 N   0  0  0  0  0
    3.9248   -3.6267    0.8311 N   0  0  0  0  0
    3.0112   -2.6429    0.3705 C   0  0  0  0  0
    3.4347   -1.4913    0.2486 O   0  0  0  0  0
    1.5823   -2.8890    0.0123 C   0  0  0  0  0
    0.8092   -3.8868    0.6115 C   0  0  0  0  0
   -0.5333   -4.0560    0.2504 C   0  0  0  0  0
   -1.1330   -3.2209   -0.6995 C   0  0  0  0  0
   -0.3677   -2.2118   -1.2831 C   0  0  0  0  0
    0.9772   -2.0435   -0.9272 C   0  0  0  0  0
   -2.4905   -3.4567   -0.9956 N   0  0  0  0  0
   -3.2867   -2.7652   -1.8843 C   0  0  0  0  0
   -2.9749   -1.8111   -2.5784 O   0  0  0  0  0
   -4.6879   -3.2891   -1.9214 C   0  0  0  0  0
   -5.7977   -2.4621   -1.3133 C   0  0  0  0  0
   -5.7346   -2.6447   -2.8009 C   0  0  0  0  0
    4.5554   -7.0683    1.5147 C   0  0  0  0  0
    6.9443   -2.2929    1.7595 H   0  0  0  0  0
    5.4009   -1.4653    1.9743 H   0  0  0  0  0
    6.0596   -1.7330    0.3374 H   0  0  0  0  0
    6.6728   -4.9898    1.9716 H   0  0  0  0  0
    1.2218   -4.5432    1.3729 H   0  0  0  0  0
   -1.0988   -4.8505    0.7312 H   0  0  0  0  0
   -0.7850   -1.5295   -2.0179 H   0  0  0  0  0
    1.5474   -1.2409   -1.3928 H   0  0  0  0  0
   -2.9329   -4.2100   -0.4888 H   0  0  0  0  0
   -4.7701   -4.3672   -1.8198 H   0  0  0  0  0
   -5.5549   -1.4801   -0.9206 H   0  0  0  0  0
   -6.5818   -2.9769   -0.7709 H   0  0  0  0  0
   -6.4690   -3.2891   -3.2698 H   0  0  0  0  0
   -5.4454   -1.7925   -3.4074 H   0  0  0  0  0
    5.5047   -7.4595    1.8938 H   0  0  0  0  0
    4.3380   -7.5660    0.5642 H   0  0  0  0  0
    3.7703   -7.3318    2.2310 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 31  1  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
SMR000015635

>  <PubChem CID>
675735

>  <Formula>
C16H17N3O2

>  <Molecular Weight>
283.331000

>  <IUPAC Name>
N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]cyclopropanecarboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C

>  <Isomeric SMILES>
CC1=CC(=NN1C(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C

>  <InChI Std. ID>
InChI=1S/C16H17N3O2/c1-10-9-11(2)19(18-10)16(21)13-5-7-14(8-6-13)17-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20)

>  <InChI Key>
AJYNZXMQANAJHO-UHFFFAOYSA-N

