N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C14H15Cl3N4O2 — CID 19890362

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C(C)C)n1
InChIInChI=1S/C14H15Cl3N4O2/c1-7(2)21-11(4-8(3)20-21)18-12(22)6-23-14-10(16)5-9(15)13(17)19-14/h4-5,7H,6H2,1-3H3,(H,18,22)
InChIKeyWMCYFEGBQWTXNZ-UHFFFAOYSA-N
MW377.66 g/mol
LogP4.15
Rot. Bonds5

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890362) has the molecular formula C14H15Cl3N4O2 and a molecular weight of 377.66 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890362
Molecular FormulaC14H15Cl3N4O2
Molecular Weight377.66 g/mol
Exact Mass376.03
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C(C)C)n1
InChIInChI=1S/C14H15Cl3N4O2/c1-7(2)21-11(4-8(3)20-21)18-12(22)6-23-14-10(16)5-9(15)13(17)19-14/h4-5,7H,6H2,1-3H3,(H,18,22)
InChIKeyWMCYFEGBQWTXNZ-UHFFFAOYSA-N
XLogP4.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890362) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is Cc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is WMCYFEGBQWTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N4O2/c1-7(2)21-11(4-8(3)20-21)18-12(22)6-23-14-10(16)5-9(15)13(17)19-14/h4-5,7H,6H2,1-3H3,(H,18,22).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 377.66 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).