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

C15H17Cl3N4O2 — CID 19890360

IUPACN-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(CC(C)C)n1
InChIInChI=1S/C15H17Cl3N4O2/c1-8(2)6-22-12(4-9(3)21-22)19-13(23)7-24-15-11(17)5-10(16)14(18)20-15/h4-5,8H,6-7H2,1-3H3,(H,19,23)
InChIKeyYKLMBRLLPRAHEN-UHFFFAOYSA-N
MW391.69 g/mol
LogP4.22
Rot. Bonds6

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

N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890360) has the molecular formula C15H17Cl3N4O2 and a molecular weight of 391.69 g/mol. Its IUPAC name is N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890360
Molecular FormulaC15H17Cl3N4O2
Molecular Weight391.69 g/mol
Exact Mass390.04
IUPAC NameN-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(CC(C)C)n1
InChIInChI=1S/C15H17Cl3N4O2/c1-8(2)6-22-12(4-9(3)21-22)19-13(23)7-24-15-11(17)5-10(16)14(18)20-15/h4-5,8H,6-7H2,1-3H3,(H,19,23)
InChIKeyYKLMBRLLPRAHEN-UHFFFAOYSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.69
LogP ≤ 54.22
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-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890360) is N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is Cc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(CC(C)C)n1.
What is the InChIKey of N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is YKLMBRLLPRAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl3N4O2/c1-8(2)6-22-12(4-9(3)21-22)19-13(23)7-24-15-11(17)5-10(16)14(18)20-15/h4-5,8H,6-7H2,1-3H3,(H,19,23).
What are the key properties of N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 391.69 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).