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
    1.0876    2.1103   -0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069    1.0005   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281    0.9946    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5120   -0.2816    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3980   -1.0236    0.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.2921   -0.0921 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9341   -0.7880   -0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858   -2.0623   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639   -0.7599    0.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7256    3.0972   -0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    2.1796   -1.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    1.9640   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7689    1.8680    0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403   -0.1560   -0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -2.7485    0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464   -2.5232   -0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.3525    1.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727   -1.8496    0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6341   -0.3770    0.1808 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