lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole

C5H4F6LiN3O4S2 — CID 131731360

IUPAClithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+].c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2F6NO4S2.Li/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-3H,(H,4,5);;/q;-1;+1
InChIKeyWGFPRAGBZOVOSA-UHFFFAOYSA-N
MW355.17 g/mol
LogP-1.53
Rot. Bonds2

About lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole

lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole (PubChem CID 131731360) has the molecular formula C5H4F6LiN3O4S2 and a molecular weight of 355.17 g/mol. Its IUPAC name is lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole.

Molecular Properties

Compound Namelithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole
PubChem CID131731360
Molecular FormulaC5H4F6LiN3O4S2
Molecular Weight355.17 g/mol
Exact Mass354.97
IUPAC Namelithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+].c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2F6NO4S2.Li/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-3H,(H,4,5);;/q;-1;+1
InChIKeyWGFPRAGBZOVOSA-UHFFFAOYSA-N
XLogP-1.53
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole?
The IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole (CID 131731360) is lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole.
What is the SMILES notation for lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole?
The canonical SMILES for lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+].c1cn[nH]c1.
What is the InChIKey of lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole?
The InChIKey is WGFPRAGBZOVOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2F6NO4S2.Li/c1-2-4-5-3-1;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h1-3H,(H,4,5);;/q;-1;+1.
What are the key properties of lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole?
lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole has a molecular weight of 355.17 g/mol, XLogP of -1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(trifluoromethylsulfonyl)azanide;1H-pyrazole is sourced from PubChem (CID 131731360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).