3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione

C15H22N4O2 — CID 115319952

IUPAC3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESNc1cnn(CCN2C(=O)CC3(CCCCC3)CC2=O)c1
InChIInChI=1S/C15H22N4O2/c16-12-10-17-18(11-12)6-7-19-13(20)8-15(9-14(19)21)4-2-1-3-5-15/h10-11H,1-9,16H2
InChIKeyXXUGWTKNEOYGLO-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.56
Rot. Bonds3

About 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 115319952) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID115319952
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESNc1cnn(CCN2C(=O)CC3(CCCCC3)CC2=O)c1
InChIInChI=1S/C15H22N4O2/c16-12-10-17-18(11-12)6-7-19-13(20)8-15(9-14(19)21)4-2-1-3-5-15/h10-11H,1-9,16H2
InChIKeyXXUGWTKNEOYGLO-UHFFFAOYSA-N
XLogP1.56
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 115319953
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
2-[2-(4-aminopyrazol-1-yl)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114393541
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
CID 115319957
3-[2-(4-aminopyrazol-1-yl)ethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 55039443
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
CID 63769679
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
1-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylazepan-4-ol
CID 107403897

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 115319952) is 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione is Nc1cnn(CCN2C(=O)CC3(CCCCC3)CC2=O)c1.
What is the InChIKey of 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is XXUGWTKNEOYGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-12-10-17-18(11-12)6-7-19-13(20)8-15(9-14(19)21)4-2-1-3-5-15/h10-11H,1-9,16H2.
What are the key properties of 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 290.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopyrazol-1-yl)ethyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 115319952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).