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
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