1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine

C11H22N6O — CID 116514706

IUPAC1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCn1cccn1
InChIInChI=1S/C11H22N6O/c1-2-18-10-4-5-13-11(16-12)14-7-9-17-8-3-6-15-17/h3,6,8H,2,4-5,7,9-10,12H2,1H3,(H2,13,14,16)
InChIKeyZDYRIFANLYOCGY-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.28
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 116514706) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
PubChem CID116514706
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCn1cccn1
InChIInChI=1S/C11H22N6O/c1-2-18-10-4-5-13-11(16-12)14-7-9-17-8-3-6-15-17/h3,6,8H,2,4-5,7,9-10,12H2,1H3,(H2,13,14,16)
InChIKeyZDYRIFANLYOCGY-UHFFFAOYSA-N
XLogP-0.28
TPSA89.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxybutyl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905649
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
CID 106106954
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111694041
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111401381
1-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111646738
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905212
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111402433
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-(3-butoxypropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111239286
2-[[(3-ethoxypropylamino)-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365777

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine (CID 116514706) is 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine is CCOCCC/N=C(\NN)NCCn1cccn1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is ZDYRIFANLYOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-2-18-10-4-5-13-11(16-12)14-7-9-17-8-3-6-15-17/h3,6,8H,2,4-5,7,9-10,12H2,1H3,(H2,13,14,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 254.34 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 116514706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).