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
    1.0504    2.1505   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1922    0.9573   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    0.9376   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -0.3890    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3873   -1.0854    0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510   -0.3011    0.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0244   -0.7000    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -1.9664    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -0.8680    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    1.9096   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4533    2.9703   -0.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    2.3760    0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    1.7761   -0.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895    0.0349   -0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947   -2.2387    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653   -2.6954    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066   -1.9616   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009   -0.3135   -0.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3336   -0.5932    1.1236 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