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
-1.0942 -2.0735 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2506 -0.9118 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1028 -0.9482 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5173 0.2979 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4341 1.0572 0.3422 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6506 0.3456 -0.0174 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9736 0.8391 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2505 2.0936 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9375 0.6254 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 -2.8810 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7403 -1.6730 -1.5351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7123 -2.4385 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7473 -1.8281 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7598 0.1770 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2555 2.4816 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 2.8010 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1243 1.7180 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1638 0.2375 1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5781 0.0802 -0.0657 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