2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide

C12H9Cl3N4O2 — CID 54071314

IUPAC2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide
SMILESCON=CC(=O)Nc1ccnn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N4O2/c1-21-17-6-11(20)18-10-2-3-16-19(10)12-8(14)4-7(13)5-9(12)15/h2-6H,1H3,(H,18,20)
InChIKeyMGQMSTIGMRTEIW-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.40
Rot. Bonds4

About 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide

2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide (PubChem CID 54071314) has the molecular formula C12H9Cl3N4O2 and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide
PubChem CID54071314
Molecular FormulaC12H9Cl3N4O2
Molecular Weight347.59 g/mol
Exact Mass345.98
IUPAC Name2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide
SMILESCON=CC(=O)Nc1ccnn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N4O2/c1-21-17-6-11(20)18-10-2-3-16-19(10)12-8(14)4-7(13)5-9(12)15/h2-6H,1H3,(H,18,20)
InChIKeyMGQMSTIGMRTEIW-UHFFFAOYSA-N
XLogP3.40
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10k
CID 135402919
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886
1-(2,4-dichlorophenyl)-N-methyl-4-nitro-1H-pyrazol-5-amine
CID 3450715
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
CID 2808947
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 71993387
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219

Frequently Asked Questions

What is the IUPAC name of 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide (CID 54071314) is 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide is CON=CC(=O)Nc1ccnn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is MGQMSTIGMRTEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N4O2/c1-21-17-6-11(20)18-10-2-3-16-19(10)12-8(14)4-7(13)5-9(12)15/h2-6H,1H3,(H,18,20).
What are the key properties of 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide?
2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 347.59 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyimino-N-[2-(2,4,6-trichlorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 54071314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).