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

C7H10IN3O — CID 12563619

IUPACN-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(I)c(C)nn1C
InChIInChI=1S/C7H10IN3O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h1-3H3,(H,9,12)
InChIKeyKOGMVAWBLOPAGC-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.29
Rot. Bonds1

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

N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide (PubChem CID 12563619) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide
PubChem CID12563619
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC NameN-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide
SMILESCC(=O)Nc1c(I)c(C)nn1C
InChIInChI=1S/C7H10IN3O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h1-3H3,(H,9,12)
InChIKeyKOGMVAWBLOPAGC-UHFFFAOYSA-N
XLogP1.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-1,3-dimethylpyrazol-5-yl)acetamide?
The IUPAC name of N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide (CID 12563619) is N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide is CC(=O)Nc1c(I)c(C)nn1C.
What is the InChIKey of N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide?
The InChIKey is KOGMVAWBLOPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-4-6(8)7(9-5(2)12)11(3)10-4/h1-3H3,(H,9,12).
What are the key properties of N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide?
N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide has a molecular weight of 279.08 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-1,3-dimethylpyrazol-5-yl)acetamide is sourced from PubChem (CID 12563619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).