N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide

C17H22IN3O — CID 24844187

IUPACN-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nc(C)c(I)c1C
InChIInChI=1S/C17H22IN3O/c1-5-13-8-7-9-14(6-2)17(13)19-15(22)10-21-12(4)16(18)11(3)20-21/h7-9H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyWFCOXLQMZAMOGS-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.87
Rot. Bonds5

About N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide

N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 24844187) has the molecular formula C17H22IN3O and a molecular weight of 411.29 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID24844187
Molecular FormulaC17H22IN3O
Molecular Weight411.29 g/mol
Exact Mass411.08
IUPAC NameN-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nc(C)c(I)c1C
InChIInChI=1S/C17H22IN3O/c1-5-13-8-7-9-14(6-2)17(13)19-15(22)10-21-12(4)16(18)11(3)20-21/h7-9H,5-6,10H2,1-4H3,(H,19,22)
InChIKeyWFCOXLQMZAMOGS-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 94935530
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438
2-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 5301041
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
2-(4-aminopyrazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 43445291
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19523127
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide (CID 24844187) is N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1nc(C)c(I)c1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is WFCOXLQMZAMOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3O/c1-5-13-8-7-9-14(6-2)17(13)19-15(22)10-21-12(4)16(18)11(3)20-21/h7-9H,5-6,10H2,1-4H3,(H,19,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide?
N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 411.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 24844187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).