N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C13H13Cl3N4O2 — CID 19890359

IUPACN-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C13H13Cl3N4O2/c1-3-7-4-10(20(2)19-7)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21)
InChIKeyYVFNDLWETHKXNP-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.36
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890359) has the molecular formula C13H13Cl3N4O2 and a molecular weight of 363.63 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890359
Molecular FormulaC13H13Cl3N4O2
Molecular Weight363.63 g/mol
Exact Mass362.01
IUPAC NameN-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C13H13Cl3N4O2/c1-3-7-4-10(20(2)19-7)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21)
InChIKeyYVFNDLWETHKXNP-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890359) is N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is CCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is YVFNDLWETHKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4O2/c1-3-7-4-10(20(2)19-7)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21).
What are the key properties of N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 363.63 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-5-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).