N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

C11H14IN3S — CID 115808897

IUPACN-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)c1cnn(C)c1
InChIInChI=1S/C11H14IN3S/c1-3-13-11(8-4-10(12)16-7-8)9-5-14-15(2)6-9/h4-7,11,13H,3H2,1-2H3
InChIKeySEOLHLZFWNIJQJ-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.79
Rot. Bonds4

About N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115808897) has the molecular formula C11H14IN3S and a molecular weight of 347.23 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID115808897
Molecular FormulaC11H14IN3S
Molecular Weight347.23 g/mol
Exact Mass347.00
IUPAC NameN-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)c1cnn(C)c1
InChIInChI=1S/C11H14IN3S/c1-3-13-11(8-4-10(12)16-7-8)9-5-14-15(2)6-9/h4-7,11,13H,3H2,1-2H3
InChIKeySEOLHLZFWNIJQJ-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine 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

N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[furan-3-yl-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115855580
N-[(5-iodothiophen-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 79693662
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79693011
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
N-[(3,4-diethylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 115482360
N-[(2,5-dibromothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107967975
5-[ethylamino-(5-iodothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 79691115
N-[(5-chlorofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106691547

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 115808897) is N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1csc(I)c1)c1cnn(C)c1.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SEOLHLZFWNIJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3S/c1-3-13-11(8-4-10(12)16-7-8)9-5-14-15(2)6-9/h4-7,11,13H,3H2,1-2H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 347.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115808897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).