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
   -1.3613   -1.9839    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3597   -0.9220    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159   -1.0579    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890    0.1651   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5464    0.9918   -0.2646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.3741   -0.0598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    0.9597   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0216    2.2215   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486    0.4482   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459   -1.5089    0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0671   -2.5868    1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228   -2.6905   -0.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -1.9691    0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7740    0.3807    0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9871    2.6986   -0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1603    2.8505   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4826   -0.1448   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    0.2430    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1380    1.5306   -0.5087 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