Monomers

3,5-Dimethyl-1-vinylpyrazole

Identifiers

IUPAC name
1-ethenyl-3,5-dimethylpyrazole
InchI
InChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3
InchI Key
PWHCXMAJNAYEOR-UHFFFAOYSA-N
SMILES
Cc1cc(nn1C=C)C
Canonical SMILES
CC1=CC(=NN1C=C)C
Isomeric SMILES
CC1=CC(=NN1C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10N2
Heavy Atom Count
9
Molecular Weight
122.171
Exact Molecular Weight
122.0844
Valence Electrons
48
Radical Electrons
0
tPSA
17.82
MolLogP
1.6004
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -1.0623    2.0881   -0.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2327    0.9337   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498    0.9860   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5195   -0.2846    0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3976   -1.0188    0.3198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6553   -0.2941    0.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014   -0.7876   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606   -2.0421    0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053   -0.7358    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    1.9544   -1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571    2.1604   -0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4861    3.0412   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7673    1.8659   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8312   -0.1447   -0.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2699   -2.4125    0.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648   -2.7181    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406   -0.0207    0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214   -0.8337    1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302   -1.7368    0.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  4  9  1  0
  6  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  7 14  1  0
  8 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers