1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

C14H17ClIN3 — CID 103216054

IUPAC1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H17ClIN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-13(16)12(15)8-10/h4-8,14,17H,3,9H2,1-2H3
InChIKeyUOGCQMWVLWALOM-UHFFFAOYSA-N
MW389.67 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine

1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103216054) has the molecular formula C14H17ClIN3 and a molecular weight of 389.67 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103216054
Molecular FormulaC14H17ClIN3
Molecular Weight389.67 g/mol
Exact Mass389.02
IUPAC Name1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H17ClIN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-13(16)12(15)8-10/h4-8,14,17H,3,9H2,1-2H3
InChIKeyUOGCQMWVLWALOM-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.67
LogP ≤ 53.57
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-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
N-[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025227
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025701
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175018
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025628
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 103216054) is 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is UOGCQMWVLWALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClIN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-13(16)12(15)8-10/h4-8,14,17H,3,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 389.67 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103216054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).