Chem 1 Oxan 2 Ylpyrazole Dsrpl

Compound 112
  CheckMol                        TMF02:r0:m0
MF=C8H12N2O MW=152.20
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4922   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2909    0.7580   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264   -2.2384   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2791   -2.2384   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818    0.0118   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121   -1.6107   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.4922   -3.7187   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5700   -1.4804   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7306   -2.7121   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9726   -4.0148   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  1  0  0
  1  3  1  0  1  0  0
  2  4  1  0  0  0  0
  2  5  1  0  1  0  0
  3  6  1  0  1  0  0
  4  7 01  0  1  0  0
  4  8 01  0  1  0  0
  5  9  1  0  1  0  0
  7 10 02  0  1  0  0
  8 11 02  0  1  0  0
  6  9  1  0  1  0  0
 10 11 01  0  1  0  0
M  END

1-(oxan-2-yl)pyrazole

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Chemical Name - 1-(oxan-2-yl)pyrazole
Mol Weight - 152.196
Smiles - C1CC(n2nccc2)OCC1

Property Name	Property Value
Mol Name	1-(oxan-2-yl)pyrazole
Molweight	152.196
Monoisotopic Mass	152.094963
Clogp	0.8447
Clogs	-1.973
H Acceptors	3
Total Surface Area	125.26
Relative Psa	0.22226
Polar Surface Area	27.05
Druglikeness	-2.6936
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.45529
Molecular Complexity	0.65854
Fragments	1
Non H Atoms	11
Non Ch Atoms	3
Electronegative Atoms	3
Stereo Centers	1
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	6
Aromatic Nitrogens	2
Smiles	C1CC(n2nccc2)OCC1
InChIKey	InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2
InChI	IMZWSOSYNFVECD-UHFFFAOYSA-N

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1 - 1-(oxan-2-yl)pyrazole
2 - 1-(oxan-2-yl)pyrazole

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1-(oxan-2-yl)pyrazole