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

C14H15Cl3N4O2 — CID 19890361

IUPACN-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCCCn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N4O2/c1-2-3-6-21-11(4-5-18-21)19-12(22)8-23-14-10(16)7-9(15)13(17)20-14/h4-5,7H,2-3,6,8H2,1H3,(H,19,22)
InChIKeyQYXNJHDWHXIXDB-UHFFFAOYSA-N
MW377.66 g/mol
LogP4.06
Rot. Bonds7

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

N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890361) has the molecular formula C14H15Cl3N4O2 and a molecular weight of 377.66 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890361
Molecular FormulaC14H15Cl3N4O2
Molecular Weight377.66 g/mol
Exact Mass376.03
IUPAC NameN-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCCCn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N4O2/c1-2-3-6-21-11(4-5-18-21)19-12(22)8-23-14-10(16)7-9(15)13(17)20-14/h4-5,7H,2-3,6,8H2,1H3,(H,19,22)
InChIKeyQYXNJHDWHXIXDB-UHFFFAOYSA-N
XLogP4.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 54.06
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-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890361) is N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is CCCCn1nccc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is QYXNJHDWHXIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N4O2/c1-2-3-6-21-11(4-5-18-21)19-12(22)8-23-14-10(16)7-9(15)13(17)20-14/h4-5,7H,2-3,6,8H2,1H3,(H,19,22).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 377.66 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).