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
    0.8529    2.2966   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    0.9947   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    0.8308    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -0.5171    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3123   -1.1325    0.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -0.2515   -0.0273 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803   -0.5275   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5156   -1.7584   -0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8494   -1.1764    0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723    2.7675   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4617    2.9581    0.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403    2.1422    0.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    1.6039    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694    0.2885   -0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397   -2.5907   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679   -1.9603   -0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2504   -1.1593    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5857   -0.6099   -0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8127   -2.1986   -0.2323 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