1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine

C11H12IN3O — CID 62139197

IUPAC1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2ccccc2I)c1
InChIInChI=1S/C11H12IN3O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyHNARLGAGXGHPKC-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine

1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine (PubChem CID 62139197) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
PubChem CID62139197
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCOc2ccccc2I)c1
InChIInChI=1S/C11H12IN3O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2
InChIKeyHNARLGAGXGHPKC-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
CID 62138648
1-[2-(3-phenylpropoxy)ethyl]pyrazol-4-amine
CID 62137722
2-[1-(2-phenoxyethyl)pyrazol-4-yl]aniline
CID 63338298
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
CID 62137713
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
N-[2-(4-aminopyrazol-1-yl)ethyl]pyridin-2-amine
CID 115320029
1-[2-(2-bromophenoxy)ethyl]-4-chloropyrazole
CID 169336743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine (CID 62139197) is 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine is Nc1cnn(CCOc2ccccc2I)c1.
What is the InChIKey of 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine?
The InChIKey is HNARLGAGXGHPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c12-10-3-1-2-4-11(10)16-6-5-15-8-9(13)7-14-15/h1-4,7-8H,5-6,13H2.
What are the key properties of 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine?
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine has a molecular weight of 329.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62139197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).