1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide

C17H18F2N6O2 — CID 56905444

IUPAC1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCOCC(NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C
InChIInChI=1S/C17H18F2N6O2/c1-24-16(6-7-20-24)15(10-27-2)21-17(26)14-9-25(23-22-14)8-11-12(18)4-3-5-13(11)19/h3-7,9,15H,8,10H2,1-2H3,(H,21,26)
InChIKeyHKUWHKFKHHIXJE-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.46
Rot. Bonds7

About 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide

1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 56905444) has the molecular formula C17H18F2N6O2 and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID56905444
Molecular FormulaC17H18F2N6O2
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCOCC(NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C
InChIInChI=1S/C17H18F2N6O2/c1-24-16(6-7-20-24)15(10-27-2)21-17(26)14-9-25(23-22-14)8-11-12(18)4-3-5-13(11)19/h3-7,9,15H,8,10H2,1-2H3,(H,21,26)
InChIKeyHKUWHKFKHHIXJE-UHFFFAOYSA-N
XLogP1.46
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide (CID 56905444) is 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide is COCC(NC(=O)c1cn(Cc2c(F)cccc2F)nn1)c1ccnn1C.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is HKUWHKFKHHIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2/c1-24-16(6-7-20-24)15(10-27-2)21-17(26)14-9-25(23-22-14)8-11-12(18)4-3-5-13(11)19/h3-7,9,15H,8,10H2,1-2H3,(H,21,26).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 56905444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).