N-(4-iodo-1H-pyrazol-5-yl)acetamide

C5H6IN3O — CID 86717260

IUPACN-(4-iodo-1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1[nH]ncc1I
InChIInChI=1S/C5H6IN3O/c1-3(10)8-5-4(6)2-7-9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyAWMPDBGBEZAWAG-UHFFFAOYSA-N
MW251.03 g/mol
LogP0.97
Rot. Bonds1

About N-(4-iodo-1H-pyrazol-5-yl)acetamide

N-(4-iodo-1H-pyrazol-5-yl)acetamide (PubChem CID 86717260) has the molecular formula C5H6IN3O and a molecular weight of 251.03 g/mol. Its IUPAC name is N-(4-iodo-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-1H-pyrazol-5-yl)acetamide
PubChem CID86717260
Molecular FormulaC5H6IN3O
Molecular Weight251.03 g/mol
Exact Mass250.96
IUPAC NameN-(4-iodo-1H-pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1[nH]ncc1I
InChIInChI=1S/C5H6IN3O/c1-3(10)8-5-4(6)2-7-9-5/h2H,1H3,(H2,7,8,9,10)
InChIKeyAWMPDBGBEZAWAG-UHFFFAOYSA-N
XLogP0.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(4-iodo-1H-pyrazol-5-yl)acetamide (CID 86717260) is N-(4-iodo-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-iodo-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-iodo-1H-pyrazol-5-yl)acetamide is CC(=O)Nc1[nH]ncc1I.
What is the InChIKey of N-(4-iodo-1H-pyrazol-5-yl)acetamide?
The InChIKey is AWMPDBGBEZAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O/c1-3(10)8-5-4(6)2-7-9-5/h2H,1H3,(H2,7,8,9,10).
What are the key properties of N-(4-iodo-1H-pyrazol-5-yl)acetamide?
N-(4-iodo-1H-pyrazol-5-yl)acetamide has a molecular weight of 251.03 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 86717260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).