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
   -1.2361    2.1089   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2704    0.9836    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0805    1.0463    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478   -0.2497    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4959   -1.0319    0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -0.3224   -0.1508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9071   -0.8363   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035   -2.1200   -0.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -0.7258    0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    2.4328   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811    1.8599    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222    3.0160    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    1.9485    0.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397   -0.1676   -0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -2.7897   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -2.5791   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1004   -0.8398    1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6924    0.0001    0.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479   -1.7339    0.0690 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