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
   -1.1341    2.1627    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2646    0.9440    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904    0.9808    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -0.3246    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -1.0831    0.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6423   -0.3282    0.2292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9853   -0.8001    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2355   -2.0905    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530   -0.7950    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    2.8286    1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9442    2.7301   -0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1925    1.9230    0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245    1.8380    0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8188   -0.1141    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2378   -2.4712    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068   -2.7734    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3043   -0.8038    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087   -1.7905   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619   -0.0326   -0.2248 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