1-(2-octan-2-yloxyethyl)pyrazol-3-amine

C13H25N3O — CID 63316203

IUPAC1-(2-octan-2-yloxyethyl)pyrazol-3-amine
SMILESCCCCCCC(C)OCCn1ccc(N)n1
InChIInChI=1S/C13H25N3O/c1-3-4-5-6-7-12(2)17-11-10-16-9-8-13(14)15-16/h8-9,12H,3-7,10-11H2,1-2H3,(H2,14,15)
InChIKeyILWDCZTYOBHBKQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.84
Rot. Bonds9

About 1-(2-octan-2-yloxyethyl)pyrazol-3-amine

1-(2-octan-2-yloxyethyl)pyrazol-3-amine (PubChem CID 63316203) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-octan-2-yloxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-octan-2-yloxyethyl)pyrazol-3-amine
PubChem CID63316203
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-octan-2-yloxyethyl)pyrazol-3-amine
SMILESCCCCCCC(C)OCCn1ccc(N)n1
InChIInChI=1S/C13H25N3O/c1-3-4-5-6-7-12(2)17-11-10-16-9-8-13(14)15-16/h8-9,12H,3-7,10-11H2,1-2H3,(H2,14,15)
InChIKeyILWDCZTYOBHBKQ-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-heptoxypropyl)pyrazol-3-amine
CID 63311023
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
1-nonan-2-yloxyoctadecane
CID 88815684
1-octan-2-yloxydecane
CID 86220707
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
1-(2-methylpentyl)pyrazol-3-amine
CID 62267103
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
2-octan-2-yloxyethanamine
CID 43127313
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307

Frequently Asked Questions

What is the IUPAC name of 1-(2-octan-2-yloxyethyl)pyrazol-3-amine?
The IUPAC name of 1-(2-octan-2-yloxyethyl)pyrazol-3-amine (CID 63316203) is 1-(2-octan-2-yloxyethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-octan-2-yloxyethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-octan-2-yloxyethyl)pyrazol-3-amine is CCCCCCC(C)OCCn1ccc(N)n1.
What is the InChIKey of 1-(2-octan-2-yloxyethyl)pyrazol-3-amine?
The InChIKey is ILWDCZTYOBHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-4-5-6-7-12(2)17-11-10-16-9-8-13(14)15-16/h8-9,12H,3-7,10-11H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-octan-2-yloxyethyl)pyrazol-3-amine?
1-(2-octan-2-yloxyethyl)pyrazol-3-amine has a molecular weight of 239.36 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octan-2-yloxyethyl)pyrazol-3-amine is sourced from PubChem (CID 63316203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).