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
   -1.1667   -2.1408   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -1.0156   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272   -1.0537   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5658    0.2242    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638    0.9950    0.0922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6100    0.2721   -0.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377    0.7933   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1496    2.0968   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9279    0.7806    0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8312   -2.1897    0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493   -3.1057   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488   -1.9305   -1.1431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7803   -1.9198   -0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7490    0.0805   -0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144    2.7698    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    2.5316   -0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2338    1.2327   -0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    1.5892    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513   -0.0099    0.5610 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