1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

C16H22Cl2IN5 — CID 111310733

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1cccn1)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C16H21Cl2N5.HI/c1-3-19-16(20-8-10-23-9-4-7-21-23)22-12(2)14-6-5-13(17)11-15(14)18;/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,20,22);1H
InChIKeyGIMSUOFYAWLUFE-UHFFFAOYSA-N
MW482.20 g/mol
LogP4.12
Rot. Bonds6

About 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 111310733) has the molecular formula C16H22Cl2IN5 and a molecular weight of 482.20 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
PubChem CID111310733
Molecular FormulaC16H22Cl2IN5
Molecular Weight482.20 g/mol
Exact Mass481.03
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1cccn1)NC(C)c1ccc(Cl)cc1Cl.I
InChIInChI=1S/C16H21Cl2N5.HI/c1-3-19-16(20-8-10-23-9-4-7-21-23)22-12(2)14-6-5-13(17)11-15(14)18;/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,20,22);1H
InChIKeyGIMSUOFYAWLUFE-UHFFFAOYSA-N
XLogP4.12
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.20
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide 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-[1-(2,4-dichlorophenyl)ethyl]-2,3-diethylguanidine;hydroiodide
CID 111310127
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111310731
N-[2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111310205
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111002828
1-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111070596
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111310120
1-ethyl-3-(3-methylbutan-2-yl)-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111002951
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 109392191
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylguanidine;hydroiodide
CID 119132129
2-[[[1-(2,4-dichlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111310625
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111310213
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111310404

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (CID 111310733) is 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCn1cccn1)NC(C)c1ccc(Cl)cc1Cl.I.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is GIMSUOFYAWLUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N5.HI/c1-3-19-16(20-8-10-23-9-4-7-21-23)22-12(2)14-6-5-13(17)11-15(14)18;/h4-7,9,11-12H,3,8,10H2,1-2H3,(H2,19,20,22);1H.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 482.20 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111310733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).