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
   -0.8419   -2.2728    0.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -0.9773    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527   -0.8200   -0.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4915    0.5374   -0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    1.1213   -0.0511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563    0.2337    0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    0.4845    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265    1.6967    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050    1.1993   -0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1321   -3.0119    0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2411   -2.5481   -0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7084   -2.1556    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812   -1.6209   -0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -0.3548    0.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5652    1.8620    0.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640    2.5337    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    0.6731   -0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605    1.1839   -1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    2.2358   -0.1509 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