2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide

C13H12Cl3N3O2 — CID 122148460

IUPAC2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1ccn[nH]1)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3N3O2/c14-8-5-10(15)13(11(16)6-8)21-4-3-17-12(20)7-9-1-2-18-19-9/h1-2,5-6H,3-4,7H2,(H,17,20)(H,18,19)
InChIKeyDOUMDSFIVBEBIJ-UHFFFAOYSA-N
MW348.62 g/mol
LogP3.11
Rot. Bonds6

About 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide

2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide (PubChem CID 122148460) has the molecular formula C13H12Cl3N3O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide
PubChem CID122148460
Molecular FormulaC13H12Cl3N3O2
Molecular Weight348.62 g/mol
Exact Mass347.00
IUPAC Name2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1ccn[nH]1)NCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl3N3O2/c14-8-5-10(15)13(11(16)6-8)21-4-3-17-12(20)7-9-1-2-18-19-9/h1-2,5-6H,3-4,7H2,(H,17,20)(H,18,19)
InChIKeyDOUMDSFIVBEBIJ-UHFFFAOYSA-N
XLogP3.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-naphthalen-2-yloxypropyl)-2-(1H-pyrazol-5-yl)acetamide
CID 71917237
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
ethyl 3-[[2-(1H-pyrazol-5-yl)acetyl]amino]propanoate
CID 79040354
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
CID 19871620
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
N-(2-methoxyethyl)-2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 109464279
N-[[3-(hydroxymethyl)phenyl]methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79040356
3,5-dichloro-4-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 82830477
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 166225847
2-[[N'-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]carbamimidoyl]amino]-N-propylacetamide
CID 109464234
5-chloro-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]benzoic acid
CID 79140170

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide (CID 122148460) is 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide is O=C(Cc1ccn[nH]1)NCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide?
The InChIKey is DOUMDSFIVBEBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O2/c14-8-5-10(15)13(11(16)6-8)21-4-3-17-12(20)7-9-1-2-18-19-9/h1-2,5-6H,3-4,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide?
2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide has a molecular weight of 348.62 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-N-[2-(2,4,6-trichlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 122148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).