10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane

C17H30N4 — CID 64872276

IUPAC10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCCC(C)n1ccc(CN2CCCNC3(CCCC3)C2)n1
InChIInChI=1S/C17H30N4/c1-3-15(2)21-12-7-16(19-21)13-20-11-6-10-18-17(14-20)8-4-5-9-17/h7,12,15,18H,3-6,8-11,13-14H2,1-2H3
InChIKeyXDZMCLLNDJAMCD-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.96
Rot. Bonds4

About 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 64872276) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID64872276
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESCCC(C)n1ccc(CN2CCCNC3(CCCC3)C2)n1
InChIInChI=1S/C17H30N4/c1-3-15(2)21-12-7-16(19-21)13-20-11-6-10-18-17(14-20)8-4-5-9-17/h7,12,15,18H,3-6,8-11,13-14H2,1-2H3
InChIKeyXDZMCLLNDJAMCD-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane (CID 64872276) is 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane is CCC(C)n1ccc(CN2CCCNC3(CCCC3)C2)n1.
What is the InChIKey of 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is XDZMCLLNDJAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-15(2)21-12-7-16(19-21)13-20-11-6-10-18-17(14-20)8-4-5-9-17/h7,12,15,18H,3-6,8-11,13-14H2,1-2H3.
What are the key properties of 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 290.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64872276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).