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
   -0.7611    2.2975    0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    0.9801    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414    0.8046   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -0.5598   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2423   -1.1505   -0.0568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7039   -0.2163    0.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0665   -0.5088    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -1.7459    0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603   -1.1758   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6456    2.2737    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908    2.6570   -0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291    2.9893    0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048    1.5900   -0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7447    0.3098    0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384   -2.6005    0.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5352   -1.9893    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457   -0.5420   -0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   -1.1795   -1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8021   -2.2339   -0.1851 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