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
   -0.9472    1.9387   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1270    0.7129   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    0.6467   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.6620    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -1.3595    0.1561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.5493    0.0877 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497   -1.0805    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9791   -0.4954   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707   -1.1387    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2671    2.8522   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    2.0909   -1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6391    2.0107    0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8834    1.5264   -0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392   -2.1461    0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9305   -1.0427   -0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0280    0.5185   -0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.4985    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0869   -2.1452    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896   -1.1792   -0.9389 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