[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium

C11H9F4IrN4- — CID 58621479

IUPAC[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium
SMILESC[N-]c1cc(C(F)(F)F)nn1-c1cccc(CF)n1.[Ir]
InChIInChI=1S/C11H9F4N4.Ir/c1-16-10-5-8(11(13,14)15)18-19(10)9-4-2-3-7(6-12)17-9;/h2-5H,6H2,1H3;/q-1;
InChIKeyXSPCVYQROOWRMI-UHFFFAOYSA-N
MW465.43 g/mol
LogP3.39
Rot. Bonds3

About [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium

[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium (PubChem CID 58621479) has the molecular formula C11H9F4IrN4- and a molecular weight of 465.43 g/mol. Its IUPAC name is [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium.

Molecular Properties

Compound Name[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium
PubChem CID58621479
Molecular FormulaC11H9F4IrN4-
Molecular Weight465.43 g/mol
Exact Mass466.04
IUPAC Name[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium
SMILESC[N-]c1cc(C(F)(F)F)nn1-c1cccc(CF)n1.[Ir]
InChIInChI=1S/C11H9F4N4.Ir/c1-16-10-5-8(11(13,14)15)18-19(10)9-4-2-3-7(6-12)17-9;/h2-5H,6H2,1H3;/q-1;
InChIKeyXSPCVYQROOWRMI-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 70791479
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 62287224
1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 82088628
2-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 58621230
[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 19627300
5-ethoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 121014903
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847696
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
CID 58106943
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
CID 122180735
tert-butyl N-[1-[[6-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 69298497
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564

Frequently Asked Questions

What is the IUPAC name of [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium?
The IUPAC name of [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium (CID 58621479) is [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium.
What is the SMILES notation for [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium?
The canonical SMILES for [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium is C[N-]c1cc(C(F)(F)F)nn1-c1cccc(CF)n1.[Ir].
What is the InChIKey of [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium?
The InChIKey is XSPCVYQROOWRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N4.Ir/c1-16-10-5-8(11(13,14)15)18-19(10)9-4-2-3-7(6-12)17-9;/h2-5H,6H2,1H3;/q-1;.
What are the key properties of [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium?
[1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium has a molecular weight of 465.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(fluoromethyl)-2-pyridinyl]-3-(trifluoromethyl)pyrazol-5-yl]-methylazanide;iridium is sourced from PubChem (CID 58621479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).