2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

C18H33N5 — CID 111608816

IUPAC2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCCC1CCCC1)NCCc1cnn(C)c1
InChIInChI=1S/C18H33N5/c1-3-19-18(21-13-11-17-14-22-23(2)15-17)20-12-7-6-10-16-8-4-5-9-16/h14-16H,3-13H2,1-2H3,(H2,19,20,21)
InChIKeyBDLZIPAZWNBICI-UHFFFAOYSA-N
MW319.50 g/mol
LogP2.88
Rot. Bonds9

About 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine

2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (PubChem CID 111608816) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
PubChem CID111608816
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCCC1CCCC1)NCCc1cnn(C)c1
InChIInChI=1S/C18H33N5/c1-3-19-18(21-13-11-17-14-22-23(2)15-17)20-12-7-6-10-16-8-4-5-9-16/h14-16H,3-13H2,1-2H3,(H2,19,20,21)
InChIKeyBDLZIPAZWNBICI-UHFFFAOYSA-N
XLogP2.88
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 52.88
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'}

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Related Compounds

1-ethyl-2-[2-(3-methylcyclohexyl)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111558068
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627689
1,3-diethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 86777200
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407390
2-(cyclopropylmethyl)-1-ethyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111869810
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111609031
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188724
tert-butyl N-[2-[[N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]carbamimidoyl]amino]ethyl]carbamate
CID 111885109
1-ethyl-2-[3-(N-ethylanilino)propyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111389865
1-(4-cyclopentylbutyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111608754

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine (CID 111608816) is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is CCN/C(=N\CCCCC1CCCC1)NCCc1cnn(C)c1.
What is the InChIKey of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is BDLZIPAZWNBICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-3-19-18(21-13-11-17-14-22-23(2)15-17)20-12-7-6-10-16-8-4-5-9-16/h14-16H,3-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine?
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 319.50 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).