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
   -1.3441   -1.6805    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3167   -0.6181    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561   -0.9110   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7702    0.2515   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8531    1.2268    0.0396 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915    0.6991    0.0735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    1.4958    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547    1.0761   -0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558    0.4483   -0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627   -2.6679    0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697   -1.8261   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1012   -1.5305    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749   -1.8942   -0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708    2.5536    0.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5875    1.8017   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    0.1126   -0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385   -0.3356    0.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    0.3806   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    1.4178    0.3860 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