methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium

C8H5F8N4+ — CID 123702962

IUPACmethylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium
SMILESC=[N+]=Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H5F8N4/c1-17-18-5-3(7(11,12)13)4(19-20(5)2)6(9,10)8(14,15)16/h1H2,2H3/q+1
InChIKeyAKPIASKEILOMBI-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.09
Rot. Bonds2

About methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium

methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium (PubChem CID 123702962) has the molecular formula C8H5F8N4+ and a molecular weight of 309.14 g/mol. Its IUPAC name is methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium.

Molecular Properties

Compound Namemethylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium
PubChem CID123702962
Molecular FormulaC8H5F8N4+
Molecular Weight309.14 g/mol
Exact Mass309.04
IUPAC Namemethylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium
SMILESC=[N+]=Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H5F8N4/c1-17-18-5-3(7(11,12)13)4(19-20(5)2)6(9,10)8(14,15)16/h1H2,2H3/q+1
InChIKeyAKPIASKEILOMBI-UHFFFAOYSA-N
XLogP3.09
TPSA44.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
5-(2,2-dimethylhydrazinyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 536804
Pyrazole, 3-pentafluoroethyl-4-trifluoromethyl-1-methyl-5-methylamino-
CID 626727
5-Fluoro-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
CID 13510273
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
5-Azido-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
CID 86697095
N-[2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-3-yl]methanimine
CID 89822791
1-Ethyl-5-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole
CID 90031844
4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
CID 123214339

Frequently Asked Questions

What is the IUPAC name of methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium?
The IUPAC name of methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium (CID 123702962) is methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium.
What is the SMILES notation for methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium?
The canonical SMILES for methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium is C=[N+]=Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium?
The InChIKey is AKPIASKEILOMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F8N4/c1-17-18-5-3(7(11,12)13)4(19-20(5)2)6(9,10)8(14,15)16/h1H2,2H3/q+1.
What are the key properties of methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium?
methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium has a molecular weight of 309.14 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]iminoazanium is sourced from PubChem (CID 123702962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).