2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide

C18H14Cl2N4O4 — CID 55502673

IUPAC2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C18H14Cl2N4O4/c1-11-8-17(23(22-11)13-3-5-14(6-4-13)24(26)27)21-18(25)10-28-16-9-12(19)2-7-15(16)20/h2-9H,10H2,1H3,(H,21,25)
InChIKeyHOQYFWWGISBKOD-UHFFFAOYSA-N
MW421.24 g/mol
LogP4.41
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide (PubChem CID 55502673) has the molecular formula C18H14Cl2N4O4 and a molecular weight of 421.24 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
PubChem CID55502673
Molecular FormulaC18H14Cl2N4O4
Molecular Weight421.24 g/mol
Exact Mass420.04
IUPAC Name2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C18H14Cl2N4O4/c1-11-8-17(23(22-11)13-3-5-14(6-4-13)24(26)27)21-18(25)10-28-16-9-12(19)2-7-15(16)20/h2-9H,10H2,1H3,(H,21,25)
InChIKeyHOQYFWWGISBKOD-UHFFFAOYSA-N
XLogP4.41
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 16958959
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55520406
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998058
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55508067
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 7718513
3-acetamido-3-(4-chlorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55520210
3-(2,4-dimethylphenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55579810
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-2-nitrophenoxy)acetamide
CID 41459403
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-(2-methylphenyl)acetamide
CID 55519581
2-(2-fluorophenyl)sulfanyl-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55508071
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55528814
methyl 3-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethoxy]-4-nitrobenzoate
CID 55753214

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide (CID 55502673) is 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
The InChIKey is HOQYFWWGISBKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O4/c1-11-8-17(23(22-11)13-3-5-14(6-4-13)24(26)27)21-18(25)10-28-16-9-12(19)2-7-15(16)20/h2-9H,10H2,1H3,(H,21,25).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide has a molecular weight of 421.24 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 55502673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).