1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine

C22H28N6 — CID 109407453

IUPAC1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H28N6/c1-4-24-22(25-13-10-19-9-12-23-16-17(19)2)27-18(3)20-7-5-8-21(15-20)28-14-6-11-26-28/h5-9,11-12,14-16,18H,4,10,13H2,1-3H3,(H2,24,25,27)
InChIKeyFYCLFFXPOMNHLJ-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.43
Rot. Bonds7

About 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine

1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine (PubChem CID 109407453) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
PubChem CID109407453
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C22H28N6/c1-4-24-22(25-13-10-19-9-12-23-16-17(19)2)27-18(3)20-7-5-8-21(15-20)28-14-6-11-26-28/h5-9,11-12,14-16,18H,4,10,13H2,1-3H3,(H2,24,25,27)
InChIKeyFYCLFFXPOMNHLJ-UHFFFAOYSA-N
XLogP3.43
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-methyl-4-pyridinyl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 109402462
1-[1-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402179
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 109396854
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 109402547
2-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
CID 75512876
1-ethyl-3-(1-phenylethyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950059
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-prop-2-enylguanidine
CID 136824011
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-[1-(3-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110042720
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 109405301
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-phenylpropyl)guanidine
CID 109402589

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine (CID 109407453) is 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine is CCN/C(=N\CCc1ccncc1C)NC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine?
The InChIKey is FYCLFFXPOMNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-4-24-22(25-13-10-19-9-12-23-16-17(19)2)27-18(3)20-7-5-8-21(15-20)28-14-6-11-26-28/h5-9,11-12,14-16,18H,4,10,13H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine?
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine has a molecular weight of 376.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine is sourced from PubChem (CID 109407453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).