2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine

C17H24IN3 — CID 105001727

IUPAC2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1cccc(I)c1
InChIInChI=1S/C17H24IN3/c1-4-15-11-16(21(6-3)20-15)12-17(19-5-2)13-8-7-9-14(18)10-13/h7-11,17,19H,4-6,12H2,1-3H3
InChIKeyROCYZNYQBRHGJP-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.96
Rot. Bonds7

About 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine (PubChem CID 105001727) has the molecular formula C17H24IN3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
PubChem CID105001727
Molecular FormulaC17H24IN3
Molecular Weight397.30 g/mol
Exact Mass397.10
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1cccc(I)c1
InChIInChI=1S/C17H24IN3/c1-4-15-11-16(21(6-3)20-15)12-17(19-5-2)13-8-7-9-14(18)10-13/h7-11,17,19H,4-6,12H2,1-3H3
InChIKeyROCYZNYQBRHGJP-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.96
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

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805474
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 63528155
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
1-(2,6-dichlorophenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001665
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
N-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
2-(1,3-diethylpyrazol-5-yl)-N-methyl-1-pyridazin-4-ylethanamine
CID 105161684
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine (CID 105001727) is 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine is CCNC(Cc1cc(CC)nn1CC)c1cccc(I)c1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine?
The InChIKey is ROCYZNYQBRHGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24IN3/c1-4-15-11-16(21(6-3)20-15)12-17(19-5-2)13-8-7-9-14(18)10-13/h7-11,17,19H,4-6,12H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine has a molecular weight of 397.30 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine is sourced from PubChem (CID 105001727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).