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

C12H11Cl3N4O2 — CID 14441651

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C12H11Cl3N4O2/c1-6-3-9(19(2)18-6)16-10(20)5-21-12-8(14)4-7(13)11(15)17-12/h3-4H,5H2,1-2H3,(H,16,20)
InChIKeyKFBBOWRHCXYEAG-UHFFFAOYSA-N
MW349.61 g/mol
LogP3.10
Rot. Bonds4

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

N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 14441651) has the molecular formula C12H11Cl3N4O2 and a molecular weight of 349.61 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID14441651
Molecular FormulaC12H11Cl3N4O2
Molecular Weight349.61 g/mol
Exact Mass347.99
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1
InChIInChI=1S/C12H11Cl3N4O2/c1-6-3-9(19(2)18-6)16-10(20)5-21-12-8(14)4-7(13)11(15)17-12/h3-4H,5H2,1-2H3,(H,16,20)
InChIKeyKFBBOWRHCXYEAG-UHFFFAOYSA-N
XLogP3.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 53.10
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-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 14441651) is N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is Cc1cc(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is KFBBOWRHCXYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O2/c1-6-3-9(19(2)18-6)16-10(20)5-21-12-8(14)4-7(13)11(15)17-12/h3-4H,5H2,1-2H3,(H,16,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 349.61 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 14441651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).