Chem 5 Amino 1 4 Fluorophenylpyrazole 4 Carbonitrile Dsrpl

Compound 294
  CheckMol                        TMF02:r0:m0
MF=C10H7FN4 MW=202.19
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    1.0030   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.5424    0.5598   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.8164    2.4724   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.6620    1.5628   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9360    3.4754   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3588    3.0322   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.4784    4.0352   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9479    3.7320   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.3384    5.5280   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.7059    5.0382   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.0556    6.2861   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7146    6.1461   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0412    7.6156   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3677    9.0851   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  7  8  1  0  0  0  0
  8  9 01  0  1  0  0
  8 10 01  0  1  0  0
  9 11 02  0  1  0  0
 10 12  1  0  0  0  0
 10 13 02  0  1  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
  6  7 01  0  1  0  0
 11 13 01  0  1  0  0
M  END

5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile

₹ 0.00 0.00

Chemical Name - 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile
Mol Weight - 202.192
Smiles - Nc(n(-c(cc1)ccc1F)nc1)c1C#N

Property Name	Property Value
Mol Name	5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile
Molweight	202.192
Monoisotopic Mass	202.065474
Clogp	0.4389
Clogs	-3.039
H Acceptors	4
H Donors	1
Total Surface Area	157.56
Relative Psa	0.2962
Polar Surface Area	67.63
Druglikeness	-2.1295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.3019
Molecular Complexity	0.72413
Fragments	1
Non H Atoms	15
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3 Atoms	1
Symmetric Atoms	2
Aromatic Nitrogens	2
Smiles	Nc(n(-c(cc1)ccc1F)nc1)c1C#N
InChIKey	InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChI	SZEJYPAPBGNEMH-UHFFFAOYSA-N

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1 - 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile
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5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile