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

C13H18N6O — CID 110915027

IUPAC1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1ccnc(-n2cccn2)c1
InChIInChI=1S/C13H18N6O/c1-20-8-6-16-13(14)17-10-11-3-5-15-12(9-11)19-7-2-4-18-19/h2-5,7,9H,6,8,10H2,1H3,(H3,14,16,17)
InChIKeyNRKQJLXQBMCCHS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.32
Rot. Bonds6

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

1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (PubChem CID 110915027) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
PubChem CID110915027
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
SMILESCOCCN/C(N)=N/Cc1ccnc(-n2cccn2)c1
InChIInChI=1S/C13H18N6O/c1-20-8-6-16-13(14)17-10-11-3-5-15-12(9-11)19-7-2-4-18-19/h2-5,7,9H,6,8,10H2,1H3,(H3,14,16,17)
InChIKeyNRKQJLXQBMCCHS-UHFFFAOYSA-N
XLogP0.32
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
CID 110916112
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
1-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111049841
1,3-diethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110915022
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914204
1-(3-butoxypropyl)-3-ethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111239657
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111605132
1-ethyl-3-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111123863
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
1-ethyl-3-(3-phenylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111199246
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111216673

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine (CID 110915027) is 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is COCCN/C(N)=N/Cc1ccnc(-n2cccn2)c1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
The InChIKey is NRKQJLXQBMCCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-20-8-6-16-13(14)17-10-11-3-5-15-12(9-11)19-7-2-4-18-19/h2-5,7,9H,6,8,10H2,1H3,(H3,14,16,17).
What are the key properties of 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine?
1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine has a molecular weight of 274.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110915027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).