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
   -1.4597    1.6133   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262    0.6674   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020    1.0221    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549   -0.1179    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9141   -1.1259    0.0731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358   -0.6656   -0.1367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4052   -1.5712   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -1.3096   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -0.2645    0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0519    2.6692   -0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    1.6489    0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524    1.4119   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761    2.0175    0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476   -2.6337   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -2.0890   -0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -0.3420   -0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7362   -0.3506   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    0.5944    1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3432   -1.1748    1.1741 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