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

C14H15Cl3N4O2 — CID 19890363

IUPACN-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N4O2/c1-3-4-21-11(5-8(2)20-21)18-12(22)7-23-14-10(16)6-9(15)13(17)19-14/h5-6H,3-4,7H2,1-2H3,(H,18,22)
InChIKeyGDKHATCBNFWUSC-UHFFFAOYSA-N
MW377.66 g/mol
LogP3.97
Rot. Bonds6

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

N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890363) has the molecular formula C14H15Cl3N4O2 and a molecular weight of 377.66 g/mol. Its IUPAC name is N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890363
Molecular FormulaC14H15Cl3N4O2
Molecular Weight377.66 g/mol
Exact Mass376.03
IUPAC NameN-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H15Cl3N4O2/c1-3-4-21-11(5-8(2)20-21)18-12(22)7-23-14-10(16)6-9(15)13(17)19-14/h5-6H,3-4,7H2,1-2H3,(H,18,22)
InChIKeyGDKHATCBNFWUSC-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.66
LogP ≤ 53.97
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-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890363) is N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is CCCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is GDKHATCBNFWUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl3N4O2/c1-3-4-21-11(5-8(2)20-21)18-12(22)7-23-14-10(16)6-9(15)13(17)19-14/h5-6H,3-4,7H2,1-2H3,(H,18,22).
What are the key properties of N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(5-methyl-2-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 377.66 g/mol, XLogP of 3.97, 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-propylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).