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
   -1.3528   -2.0471   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -0.9594   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365   -1.0499   -0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988    0.2021   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5501    1.0359    0.1112 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    0.3597    0.0494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9111    0.8958    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0399    2.1937    0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0354    0.5862    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -1.8431    0.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679   -2.1918   -1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -3.0222    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902   -1.9768   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850    0.2709    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843    2.8472    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0080    2.6658    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3770    0.6977    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -0.2279   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037    1.5632   -0.5010 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