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
   -1.6020    1.4235    0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    0.5903    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9073    1.0695    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7657    0.0368    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0151   -0.9995   -0.3210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088   -0.6926   -0.2990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3018   -1.6516   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5257   -1.5563   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2561    0.1060    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2653    2.5071    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    1.2141    1.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434    1.2144   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    2.0634    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0339   -2.4988   -1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9494   -0.7771    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835   -2.3349   -0.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5281    0.6393    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7012    0.5599   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7002   -0.9134    0.1975 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