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
   -0.9091    2.1410   -0.7793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1283    0.9774   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.8602   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4935   -0.4178    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151   -1.0575    0.3688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530   -0.2556   -0.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0087   -0.6495   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -1.8740    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8421   -0.9445    0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4068    2.6938    0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2926    2.8605   -1.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228    1.8116   -1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9104    1.6868   -0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7288    0.0814   -0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -2.5679    0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4350   -2.1864    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5424   -0.8845   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2382   -0.2837    1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -1.9912    1.0730 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