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
   -1.2793   -2.0698    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2820   -0.9722    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -1.0498    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    0.2147   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5056    1.0142   -0.2072 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    0.3047   -0.1425 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    0.8690   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033    2.1479   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9982    0.6262   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -3.0545   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837   -1.8473   -0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6729   -2.0375    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665   -1.9590    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7521    0.1993   -0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2693    2.8524   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112    2.5224   -0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326    0.2549   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.2518    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    1.7325   -0.0058 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