1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide

C26H35IN6O — CID 111864171

IUPAC1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NCCc1ccc(-n2cccn2)cc1.I
InChIInChI=1S/C26H34N6O.HI/c1-2-27-26(28-15-13-22-9-11-24(12-10-22)32-16-6-14-30-32)29-21-25(23-7-4-3-5-8-23)31-17-19-33-20-18-31;/h3-12,14,16,25H,2,13,15,17-21H2,1H3,(H2,27,28,29);1H
InChIKeyGDARIAZTXZHORF-UHFFFAOYSA-N
MW574.51 g/mol
LogP3.66
Rot. Bonds9

About 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide

1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111864171) has the molecular formula C26H35IN6O and a molecular weight of 574.51 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111864171
Molecular FormulaC26H35IN6O
Molecular Weight574.51 g/mol
Exact Mass574.19
IUPAC Name1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NCCc1ccc(-n2cccn2)cc1.I
InChIInChI=1S/C26H34N6O.HI/c1-2-27-26(28-15-13-22-9-11-24(12-10-22)32-16-6-14-30-32)29-21-25(23-7-4-3-5-8-23)31-17-19-33-20-18-31;/h3-12,14,16,25H,2,13,15,17-21H2,1H3,(H2,27,28,29);1H
InChIKeyGDARIAZTXZHORF-UHFFFAOYSA-N
XLogP3.66
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109474837
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111188250
1-ethyl-2-(2-hydroxyethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111998868
2-[[ethylamino-[2-(4-pyrazol-1-ylphenyl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111863846
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111998323
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863982
2-butyl-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111151385
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863841
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111312182
2-[2-(benzenesulfonyl)ethyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111864475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide (CID 111864171) is 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide is CCN/C(=N\CC(c1ccccc1)N1CCOCC1)NCCc1ccc(-n2cccn2)cc1.I.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is GDARIAZTXZHORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O.HI/c1-2-27-26(28-15-13-22-9-11-24(12-10-22)32-16-6-14-30-32)29-21-25(23-7-4-3-5-8-23)31-17-19-33-20-18-31;/h3-12,14,16,25H,2,13,15,17-21H2,1H3,(H2,27,28,29);1H.
What are the key properties of 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide?
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 574.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111864171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).