1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine

C17H24IN3 — CID 105151896

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cc(CC)nn1CC
InChIInChI=1S/C17H24IN3/c1-4-15-12-17(21(6-3)20-15)16(19-5-2)11-13-7-9-14(18)10-8-13/h7-10,12,16,19H,4-6,11H2,1-3H3
InChIKeyNBPPYWYMJNWMRF-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.96
Rot. Bonds7

About 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine

1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine (PubChem CID 105151896) has the molecular formula C17H24IN3 and a molecular weight of 397.30 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
PubChem CID105151896
Molecular FormulaC17H24IN3
Molecular Weight397.30 g/mol
Exact Mass397.10
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cc(CC)nn1CC
InChIInChI=1S/C17H24IN3/c1-4-15-12-17(21(6-3)20-15)16(19-5-2)11-13-7-9-14(18)10-8-13/h7-10,12,16,19H,4-6,11H2,1-3H3
InChIKeyNBPPYWYMJNWMRF-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

1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
CID 105084399
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
CID 105108095
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 105160538
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine (CID 105151896) is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine is CCNC(Cc1ccc(I)cc1)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine?
The InChIKey is NBPPYWYMJNWMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24IN3/c1-4-15-12-17(21(6-3)20-15)16(19-5-2)11-13-7-9-14(18)10-8-13/h7-10,12,16,19H,4-6,11H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine?
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-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 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine is sourced from PubChem (CID 105151896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).