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
-1.3481 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