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
   -1.3481    2.0526    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704    0.9314    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0095    1.1272    0.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5525   -0.1171   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5436   -0.9882   -0.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265   -0.3865   -0.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740   -1.0311   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9679   -2.3491   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -0.4660   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3431    1.6079    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.6937   -0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730    2.7376    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5697    2.0427    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8101   -0.4826    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8866   -2.8810   -0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558   -2.9369   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4401   -0.0545    0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284   -1.5640   -0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4144    0.0639   -0.9685 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