Chem 4 4 Fluorophenyl 1h Pyrazol 5 Amine Ncc

Compound 111
  CheckMol                        TMF02:r0:m0
MF=C9H8FN3 MW=177.18
 13 14  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -0.7434   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6195    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3215   -2.2301   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9292   -0.7198   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6313   -2.9734   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9410   -2.2065   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2507   -2.9498   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.4159   -4.4248   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.6312   -2.3245   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.8908   -4.7197   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -4.3186   -5.4159   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6460   -3.4218   -0.0000 N   0 00  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 02  0  1  0  0
  8 10 01  0  1  0  0
  9 11 01  0  1  0  0
  9 12  1  0  0  0  0
 10 13 02  0  1  0  0
  6  7 01  0  1  0  0
 11 13 01  0  1  0  0
M  END

4-(4-fluorophenyl)-1h-pyrazol-5-amine

₹ 0.00 0.00

Chemical Name - 4-(4-fluorophenyl)-1h-pyrazol-5-amine
Mol Weight - 177.182
Smiles - Nc([nH]nc1)c1-c(cc1)ccc1F
InChI - SIXWIUJQBBANGK-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)

Property Name	Property Value
Mol Name	4-(4-fluorophenyl)-1h-pyrazol-5-amine
Molweight	177.182
Monoisotopic Mass	177.070225
Clogp	0.9873
Clogs	-3.19
H Acceptors	3
H Donors	2
Total Surface Area	136.22
Relative Psa	0.29533
Polar Surface Area	54.7
Druglikeness	1.57
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.3672
Molecular Complexity	0.655
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetric Atoms	2
Aromatic Nitrogens	2
Smiles	Nc([nH]nc1)c1-c(cc1)ccc1F
InChIKey	InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChI	SIXWIUJQBBANGK-UHFFFAOYSA-N

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4-(4-fluorophenyl)-1h-pyrazol-5-amine