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

C14H19N5O — CID 110916112

IUPAC1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N5O/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)
InChIKeyJVMCGDABKNNYFH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.92
Rot. Bonds6

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

1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 110916112) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID110916112
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N5O/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)
InChIKeyJVMCGDABKNNYFH-UHFFFAOYSA-N
XLogP0.92
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.92
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-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
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-(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-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine
CID 51131424
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863868
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110924905

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 110916112) is 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is COCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is JVMCGDABKNNYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/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).
What are the key properties of 1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 273.34 g/mol, XLogP of 0.92, 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 is sourced from PubChem (CID 110916112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).