N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide

C16H10F5N3OSe — CID 56941812

IUPACN-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)[se]1
InChIInChI=1S/C16H10F5N3OSe/c1-24-10(7-13(23-24)16(19,20)21)11-5-6-12(26-11)15(25)22-14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25)
InChIKeyZOVYTLOADRRNOF-UHFFFAOYSA-N
MW434.23 g/mol
LogP3.69
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide

N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide (PubChem CID 56941812) has the molecular formula C16H10F5N3OSe and a molecular weight of 434.23 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide
PubChem CID56941812
Molecular FormulaC16H10F5N3OSe
Molecular Weight434.23 g/mol
Exact Mass434.99
IUPAC NameN-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)[se]1
InChIInChI=1S/C16H10F5N3OSe/c1-24-10(7-13(23-24)16(19,20)21)11-5-6-12(26-11)15(25)22-14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25)
InChIKeyZOVYTLOADRRNOF-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide (CID 56941812) is N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)[se]1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide?
The InChIKey is ZOVYTLOADRRNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3OSe/c1-24-10(7-13(23-24)16(19,20)21)11-5-6-12(26-11)15(25)22-14-8(17)3-2-4-9(14)18/h2-7H,1H3,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide?
N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide has a molecular weight of 434.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]selenophene-2-carboxamide is sourced from PubChem (CID 56941812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).