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

C14H18IN3 — CID 65479181

IUPACN-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccn(C)n1
InChIInChI=1S/C14H18IN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-4-6-12(15)7-5-11/h4-9,14,16H,3,10H2,1-2H3
InChIKeyOSQYHLBTQXQRCQ-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.92
Rot. Bonds5

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

N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65479181) has the molecular formula C14H18IN3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65479181
Molecular FormulaC14H18IN3
Molecular Weight355.22 g/mol
Exact Mass355.05
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1ccn(C)n1
InChIInChI=1S/C14H18IN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-4-6-12(15)7-5-11/h4-9,14,16H,3,10H2,1-2H3
InChIKeyOSQYHLBTQXQRCQ-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)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-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130891
N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 65200857
N-ethyl-N',N'-dimethyl-1-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103131264
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 103134564
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (CID 65479181) is N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccc(I)cc1)c1ccn(C)n1.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is OSQYHLBTQXQRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3/c1-3-16-14(13-8-9-18(2)17-13)10-11-4-6-12(15)7-5-11/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 355.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65479181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).