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
    0.5187    2.3904    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    0.9721   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046    0.6626   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764   -0.7224   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1359   -1.1508    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7325   -0.1525    0.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298   -0.2611    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086   -1.4401    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -1.4983   -0.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    2.4383    0.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1322    2.9568    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3040    2.8128   -0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347    1.3443   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    0.6369    0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7721   -1.5650    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314   -2.3575    0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796   -0.9003   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722   -2.4632   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0427   -1.7031    0.6814 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