Chem 3 Phenyl 1h Pyrazole Ncc

Compound 80
  CheckMol                        TMF02:r0:m0
MF=C9H8N2 MW=144.18
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0195   -1.1025   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.3633   -0.6046   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.2845   -2.3947   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6556    0.1541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1974   -2.0865   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9478   -0.5928   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6437    1.6716   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2400    0.1660   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9359    2.4303   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2281    1.6834   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2 01  0  1  0  0
  1  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  5  7 02  0  1  0  0
  5  8 01  0  1  0  0
  7  9 01  0  1  0  0
  8 10 02  0  1  0  0
  9 11 02  0  1  0  0
  4  6 02  0  1  0  0
 10 11 01  0  1  0  0
M  END

3-Phenyl-1H-pyrazole

₹ 0.00 0.00

Chemical Name - 3-Phenyl-1H-pyrazole
Mol Weight - 144.177
Smiles - c1c[nH]nc1-c1ccccc1
InChI - OEDUIFSDODUDRK-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

Property Name	Property Value
Mol Name	3-Phenyl-1H-pyrazole
Molweight	144.177
Monoisotopic Mass	144.068748
Clogp	1.3034
Clogs	-1.967
H Acceptors	2
H Donors	1
Total Surface Area	121.35
Relative Psa	0.20569
Polar Surface Area	28.68
Druglikeness	1.3013
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.37226
Molecular Complexity	0.56687
Fragments	1
Non H Atoms	11
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetric Atoms	2
Aromatic Nitrogens	2
Smiles	c1c[nH]nc1-c1ccccc1
InChIKey	InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
InChI	OEDUIFSDODUDRK-UHFFFAOYSA-N

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3-Phenyl-1H-pyrazole