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
   -1.4135   -1.3994    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271   -0.5685    0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -0.9221    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    0.0444   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727    0.9600   -0.7010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3748    0.5990   -0.3401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5042    1.4085   -0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    1.3298   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    0.0875   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567   -2.4754    0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7725   -1.0372    1.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686   -1.4744    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992   -1.8263    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527    2.1576   -1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410    2.0374   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9043    0.6724    0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    0.7498   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6213   -0.9218   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095    0.5786    0.3672 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