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
   -1.3732    1.9527   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    0.9563   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0455    1.1260   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -0.1006    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613   -0.9381    0.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974   -0.3208    0.0698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603   -0.9471    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9433   -2.2118    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9998   -0.4607    0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9654    2.9628   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844    1.6314   -1.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975    1.9393    0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5791    2.0355   -0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7596   -0.3889    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8932   -2.7075    0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0408   -2.7642    0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036    0.3896   -0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866   -0.7867    1.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1908   -1.3672   -0.4007 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