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
   -1.3019    1.6074    0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    0.6027    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1055    0.7770    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.3157   -0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703   -1.1243   -0.5719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4352   -0.5841   -0.3263 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -1.2434   -0.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307   -0.9338   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225   -0.5557   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    1.8268   -0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8038    1.3264    1.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329    2.5646    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816    1.6436    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -2.1199   -1.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0978   -0.1324    0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6818   -1.5492   -0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928   -1.0757   -1.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    0.4301   -0.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6118   -1.1443    0.5888 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