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
   -1.2297    2.0734    0.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903    0.9267    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771    1.0390    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -0.2536    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -1.0620   -0.0365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6361   -0.3663   -0.0835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -0.9054   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438   -2.1945   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028   -0.5961    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787    1.7451    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4705    2.4231   -0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    2.9330    0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6651    1.9606    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -0.2381   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307   -2.9279   -0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549   -2.5779   -0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735    0.2151   -0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782   -0.6663    1.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485   -1.5281   -0.3323 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