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
    1.0432    2.2032   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990    0.9958   -0.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.9404   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.3784    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816   -1.0417    0.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -0.2525    0.0465 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -0.6719    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168   -1.9400    0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049   -0.9740    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    2.4099    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6315    2.1655   -1.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669    3.0874   -0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664    1.7694   -0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363    0.0291    0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134   -2.6846    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3224   -2.2938    0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1090   -1.6513   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160   -0.1455    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9863   -1.5670    1.0440 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