1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide

C14H20IN5O — CID 110916111

IUPAC1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1.I
InChIInChI=1S/C14H19N5O.HI/c1-20-10-8-16-14(15)17-11-12-3-5-13(6-4-12)19-9-2-7-18-19;/h2-7,9H,8,10-11H2,1H3,(H3,15,16,17);1H
InChIKeyYBCYOUSSVVXBMZ-UHFFFAOYSA-N
MW401.25 g/mol
LogP1.54
Rot. Bonds6

About 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide (PubChem CID 110916111) has the molecular formula C14H20IN5O and a molecular weight of 401.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
PubChem CID110916111
Molecular FormulaC14H20IN5O
Molecular Weight401.25 g/mol
Exact Mass401.07
IUPAC Name1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1.I
InChIInChI=1S/C14H19N5O.HI/c1-20-10-8-16-14(15)17-11-12-3-5-13(6-4-12)19-9-2-7-18-19;/h2-7,9H,8,10-11H2,1H3,(H3,15,16,17);1H
InChIKeyYBCYOUSSVVXBMZ-UHFFFAOYSA-N
XLogP1.54
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 51.54
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-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110915027
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423
1-(3,4-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063322
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110924905
1-(2-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
2-(3-methylbutyl)-1-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039633
1-(3-chloro-4-methoxyphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111063369

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide (CID 110916111) is 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide is COCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is YBCYOUSSVVXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.HI/c1-20-10-8-16-14(15)17-11-12-3-5-13(6-4-12)19-9-2-7-18-19;/h2-7,9H,8,10-11H2,1H3,(H3,15,16,17);1H.
What are the key properties of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 401.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110916111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).