N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C6H5F3IN3O — CID 86717285

IUPACN-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C6H5F3IN3O/c1-2(14)11-5-3(10)4(12-13-5)6(7,8)9/h1H3,(H2,11,12,13,14)
InChIKeyXIVIKTFHMZYVEK-UHFFFAOYSA-N
MW319.02 g/mol
LogP1.99
Rot. Bonds1

About N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 86717285) has the molecular formula C6H5F3IN3O and a molecular weight of 319.02 g/mol. Its IUPAC name is N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID86717285
Molecular FormulaC6H5F3IN3O
Molecular Weight319.02 g/mol
Exact Mass318.94
IUPAC NameN-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(C(F)(F)F)c1I
InChIInChI=1S/C6H5F3IN3O/c1-2(14)11-5-3(10)4(12-13-5)6(7,8)9/h1H3,(H2,11,12,13,14)
InChIKeyXIVIKTFHMZYVEK-UHFFFAOYSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.02
LogP ≤ 51.99
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-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 86717285) is N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(C(F)(F)F)c1I.
What is the InChIKey of N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is XIVIKTFHMZYVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3IN3O/c1-2(14)11-5-3(10)4(12-13-5)6(7,8)9/h1H3,(H2,11,12,13,14).
What are the key properties of N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 319.02 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 86717285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).