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
    1.3362   -0.1579    1.7179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.0560    0.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -0.1864    0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590   -0.0223   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115    0.2001   -1.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152    0.1798   -0.6344 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682    0.3732   -1.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7989    0.1142   -1.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2170   -0.0675   -0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8335   -0.1173    2.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492   -1.1349    1.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0171    0.7053    1.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -0.3839    1.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803    0.7903   -2.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2888   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6501    0.2939   -1.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7903    0.3578    0.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4878    0.5164   -1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -1.1159   -0.6974 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