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

C13H13Cl3N4O2 — CID 19890364

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N4O2/c1-3-20-10(4-7(2)19-20)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21)
InChIKeyLFGWDVOLXZDSJQ-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.58
Rot. Bonds5

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

N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 19890364) has the molecular formula C13H13Cl3N4O2 and a molecular weight of 363.63 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID19890364
Molecular FormulaC13H13Cl3N4O2
Molecular Weight363.63 g/mol
Exact Mass362.01
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H13Cl3N4O2/c1-3-20-10(4-7(2)19-20)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21)
InChIKeyLFGWDVOLXZDSJQ-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.58
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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Related Compounds

N-(2-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 19890366
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
4-chloro-N'-[2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetyl]benzohydrazide
CID 11625673
2-[(3,5,6-trichloro-2-pyridinyl)oxy]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 166940160
2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 45284669
methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
CID 154882023
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
2-(2,4-dichlorophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]acetamide
CID 45283901
methyl 3-chloro-4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]benzoate
CID 55578352
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
CID 166431940

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 19890364) is N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is CCn1nc(C)cc1NC(=O)COc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is LFGWDVOLXZDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4O2/c1-3-20-10(4-7(2)19-20)17-11(21)6-22-13-9(15)5-8(14)12(16)18-13/h4-5H,3,6H2,1-2H3,(H,17,21).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 363.63 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 19890364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).