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
    1.0250    2.1007   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980    0.8921   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602    0.7861   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -0.4798   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -1.0693    0.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -0.2688    0.2020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878   -0.5356    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418   -1.6932    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8950   -1.0318   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4501    2.9959   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    2.2493   -1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9540    2.0308   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981    1.5705   -1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7509    0.2240    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6136   -2.4699    1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3524   -1.8851    1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -2.1127   -0.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4619   -0.5112   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4109   -0.7920    0.6575 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