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
   -1.0942   -2.0735   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506   -0.9118   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028   -0.9482   -0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5173    0.2979    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    1.0572    0.3422 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506    0.3456   -0.0174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9736    0.8391   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2505    2.0936    0.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    0.6254    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4354   -2.8810   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7403   -1.6730   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123   -2.4385    0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473   -1.8281   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    0.1770   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2555    2.4816    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4826    2.8010    0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1243    1.7180    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1638    0.2375    1.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    0.0802   -0.0657 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