2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

C15H12IN3O2S — CID 52719424

IUPAC2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12IN3O2S/c16-10-3-5-11(6-4-10)21-9-15(20)17-14-8-12(18-19-14)13-2-1-7-22-13/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyCUPNVVOABXNUMV-UHFFFAOYSA-N
MW425.25 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 52719424) has the molecular formula C15H12IN3O2S and a molecular weight of 425.25 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID52719424
Molecular FormulaC15H12IN3O2S
Molecular Weight425.25 g/mol
Exact Mass424.97
IUPAC Name2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(I)cc1)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H12IN3O2S/c16-10-3-5-11(6-4-10)21-9-15(20)17-14-8-12(18-19-14)13-2-1-7-22-13/h1-8H,9H2,(H2,17,18,19,20)
InChIKeyCUPNVVOABXNUMV-UHFFFAOYSA-N
XLogP3.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (CID 52719424) is 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is O=C(COc1ccc(I)cc1)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is CUPNVVOABXNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O2S/c16-10-3-5-11(6-4-10)21-9-15(20)17-14-8-12(18-19-14)13-2-1-7-22-13/h1-8H,9H2,(H2,17,18,19,20).
What are the key properties of 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 425.25 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 52719424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).