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
   -1.0594    2.0650   -0.7561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    0.9153   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1674    0.9295   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211   -0.3250    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4032   -1.0359    0.3634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -0.3071    0.0343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079   -0.7295    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3262   -1.9616    0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419   -0.7405    0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814    1.9735   -1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    2.9939   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    2.0208   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    1.7771   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7903   -0.0495   -0.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421   -2.3270    0.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5600   -2.6728    0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313   -0.2962   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -1.8301    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1806   -0.3999    1.5356 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