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
   -1.4719   -1.9616    0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -0.9109    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412   -1.1656    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.0501    0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172    0.9771    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805    0.4173    0.1139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326    1.0870    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8498    2.4063   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.2878    0.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -2.5331   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4711   -1.4862    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039   -2.6935    1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568   -2.1325    0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    0.5680    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7720    2.9631   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    2.9866   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2367    0.9474    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617   -0.6804    0.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    0.8731   -0.6335 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