1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide

C14H28IN5 — CID 111760622

IUPAC1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide
SMILESCCCCC/N=C(\NCC)NCCn1cc(C)cn1.I
InChIInChI=1S/C14H27N5.HI/c1-4-6-7-8-16-14(15-5-2)17-9-10-19-12-13(3)11-18-19;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyHQNGJCWJRKRTOD-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.55
Rot. Bonds8

About 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide

1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide (PubChem CID 111760622) has the molecular formula C14H28IN5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide
PubChem CID111760622
Molecular FormulaC14H28IN5
Molecular Weight393.32 g/mol
Exact Mass393.14
IUPAC Name1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide
SMILESCCCCC/N=C(\NCC)NCCn1cc(C)cn1.I
InChIInChI=1S/C14H27N5.HI/c1-4-6-7-8-16-14(15-5-2)17-9-10-19-12-13(3)11-18-19;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H
InChIKeyHQNGJCWJRKRTOD-UHFFFAOYSA-N
XLogP2.55
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-(3-phenoxypropyl)guanidine
CID 111769289
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-methylsulfanylbutyl)guanidine
CID 111628718
1-butyl-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111761388
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125112
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111401566
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111766545
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111397611
1-ethyl-3-(5-methylhexan-2-yl)-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111204333
1-ethyl-2-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111767938
1-ethyl-3-(5-methylhexan-2-yl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111762856
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111237392
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 109418087

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide (CID 111760622) is 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide is CCCCC/N=C(\NCC)NCCn1cc(C)cn1.I.
What is the InChIKey of 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide?
The InChIKey is HQNGJCWJRKRTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5.HI/c1-4-6-7-8-16-14(15-5-2)17-9-10-19-12-13(3)11-18-19;/h11-12H,4-10H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide?
1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide has a molecular weight of 393.32 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide is sourced from PubChem (CID 111760622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).