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
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
-1.1259 2.1195 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1994 0.9588 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1680 0.9698 0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 -0.3352 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4540 -1.0752 -0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6271 -0.3106 -0.0737 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.7371 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2553 -2.0148 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9716 -0.8033 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0301 1.8513 0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6559 3.0508 0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4819 2.2228 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7913 1.8703 0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7584 -0.0180 -0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4509 -2.7312 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2796 -2.3128 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5813 -0.0962 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2526 -0.7696 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0575 -1.8394 -0.1425 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