1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine

C14H27N5O — CID 111905075

IUPAC1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCCCn1cccn1
InChIInChI=1S/C14H27N5O/c1-15-14(16-8-4-3-5-13-20-2)17-9-6-11-19-12-7-10-18-19/h7,10,12H,3-6,8-9,11,13H2,1-2H3,(H2,15,16,17)
InChIKeyVRIWYMOUMLEXSI-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.25
Rot. Bonds10

About 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine

1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111905075) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
PubChem CID111905075
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(\NCCCCCOC)NCCCn1cccn1
InChIInChI=1S/C14H27N5O/c1-15-14(16-8-4-3-5-13-20-2)17-9-6-11-19-12-7-10-18-19/h7,10,12H,3-6,8-9,11,13H2,1-2H3,(H2,15,16,17)
InChIKeyVRIWYMOUMLEXSI-UHFFFAOYSA-N
XLogP1.25
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.25
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'}

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Related Compounds

1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111651797
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine;hydroiodide
CID 111530994
1-(3-methoxypropyl)-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110976393
1-[3-(dimethylamino)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905804
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906593
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904524
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906510
1-(2-cyclopropylethyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111604825
2-methyl-1-(2-methylsulfonylethyl)-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906128
2-methyl-1-prop-2-enyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110983191
tert-butyl N-[3-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
CID 111887269
1-tert-butyl-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110967371

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine (CID 111905075) is 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine is C/N=C(\NCCCCCOC)NCCCn1cccn1.
What is the InChIKey of 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is VRIWYMOUMLEXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-15-14(16-8-4-3-5-13-20-2)17-9-6-11-19-12-7-10-18-19/h7,10,12H,3-6,8-9,11,13H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine?
1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 281.40 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111905075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).