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
-0.9091 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