2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide

C12H13IN4O — CID 115289709

IUPAC2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C12H13IN4O/c1-17-7-8(6-15-17)11(14)12(18)16-10-4-2-9(13)3-5-10/h2-7,11H,14H2,1H3,(H,16,18)
InChIKeyZMCUCLVFYWHCFS-UHFFFAOYSA-N
MW356.17 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289709) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289709
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccc(I)cc2)cn1
InChIInChI=1S/C12H13IN4O/c1-17-7-8(6-15-17)11(14)12(18)16-10-4-2-9(13)3-5-10/h2-7,11H,14H2,1H3,(H,16,18)
InChIKeyZMCUCLVFYWHCFS-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289947
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289709) is 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2ccc(I)cc2)cn1.
What is the InChIKey of 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is ZMCUCLVFYWHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c1-17-7-8(6-15-17)11(14)12(18)16-10-4-2-9(13)3-5-10/h2-7,11H,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 356.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).