N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C16H22IN3 — CID 104990155

IUPACN-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1ccccc1I
InChIInChI=1S/C16H22IN3/c1-4-18-16(14-7-5-6-8-15(14)17)11-13-9-10-20(19-13)12(2)3/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyHRDBRMCORWWEOR-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.96
Rot. Bonds6

About N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 104990155) has the molecular formula C16H22IN3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID104990155
Molecular FormulaC16H22IN3
Molecular Weight383.28 g/mol
Exact Mass383.09
IUPAC NameN-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1ccccc1I
InChIInChI=1S/C16H22IN3/c1-4-18-16(14-7-5-6-8-15(14)17)11-13-9-10-20(19-13)12(2)3/h5-10,12,16,18H,4,11H2,1-3H3
InChIKeyHRDBRMCORWWEOR-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
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

N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64770867
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771568
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-1-(2-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999681
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 104990155) is N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)c1ccccc1I.
What is the InChIKey of N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is HRDBRMCORWWEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN3/c1-4-18-16(14-7-5-6-8-15(14)17)11-13-9-10-20(19-13)12(2)3/h5-10,12,16,18H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 383.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104990155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).