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

C15H18IN3O2 — CID 55976047

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(I)cc2)n[nH]1
InChIInChI=1S/C15H18IN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBQZLAFPGKSRQJZ-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.33
Rot. Bonds4

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide (PubChem CID 55976047) has the molecular formula C15H18IN3O2 and a molecular weight of 399.23 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
PubChem CID55976047
Molecular FormulaC15H18IN3O2
Molecular Weight399.23 g/mol
Exact Mass399.04
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
SMILESCC(C)(C)c1cc(NC(=O)COc2ccc(I)cc2)n[nH]1
InChIInChI=1S/C15H18IN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyBQZLAFPGKSRQJZ-UHFFFAOYSA-N
XLogP3.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
2-(4-iodophenoxy)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
CID 52719424
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55977589
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide (CID 55976047) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide is CC(C)(C)c1cc(NC(=O)COc2ccc(I)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide?
The InChIKey is BQZLAFPGKSRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2/c1-15(2,3)12-8-13(19-18-12)17-14(20)9-21-11-6-4-10(16)5-7-11/h4-8H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide has a molecular weight of 399.23 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide is sourced from PubChem (CID 55976047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).