1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

C13H26IN5O — CID 110942411

IUPAC1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCCOC.I
InChIInChI=1S/C13H25N5O.HI/c1-4-14-13(15-7-9-19-3)16-10-12(2)11-18-8-5-6-17-18;/h5-6,8,12H,4,7,9-11H2,1-3H3,(H2,14,15,16);1H
InChIKeyYULLPAPFIMPUDB-UHFFFAOYSA-N
MW395.29 g/mol
LogP1.34
Rot. Bonds8

About 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 110942411) has the molecular formula C13H26IN5O and a molecular weight of 395.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
PubChem CID110942411
Molecular FormulaC13H26IN5O
Molecular Weight395.29 g/mol
Exact Mass395.12
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCCOC.I
InChIInChI=1S/C13H25N5O.HI/c1-4-14-13(15-7-9-19-3)16-10-12(2)11-18-8-5-6-17-18;/h5-6,8,12H,4,7,9-11H2,1-3H3,(H2,14,15,16);1H
InChIKeyYULLPAPFIMPUDB-UHFFFAOYSA-N
XLogP1.34
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
CID 111226135
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111129674
1-ethyl-3-hexyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111161598
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126008
1-tert-butyl-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110967020
N-[2-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927691
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198913
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111400290
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111574981
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (CID 110942411) is 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Cn1cccn1)NCCOC.I.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is YULLPAPFIMPUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O.HI/c1-4-14-13(15-7-9-19-3)16-10-12(2)11-18-8-5-6-17-18;/h5-6,8,12H,4,7,9-11H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 395.29 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110942411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).