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
   -0.9757    2.2239    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1854    0.9623   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    0.9178   -0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067   -0.4136   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3821   -1.1050   -0.0209 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6413   -0.2894    0.1071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196   -0.6244    0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114   -1.8970    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -0.9957   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792    2.1082    0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553    3.0719    0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558    2.4812   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702    1.7429   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7762    0.1313    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3498   -2.2183    0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -2.6893    0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.9083    0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8279   -2.0491   -0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -0.4493   -1.1839 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