2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane

C13H21ClN4 — CID 91843311

IUPAC2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESClc1cnn(CCN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C13H21ClN4/c14-12-9-16-18(10-12)8-7-17-6-3-13(11-17)1-4-15-5-2-13/h9-10,15H,1-8,11H2
InChIKeyGLHZSMPUJSSRQE-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.61
Rot. Bonds3

About 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane

2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91843311) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane
PubChem CID91843311
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESClc1cnn(CCN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C13H21ClN4/c14-12-9-16-18(10-12)8-7-17-6-3-13(11-17)1-4-15-5-2-13/h9-10,15H,1-8,11H2
InChIKeyGLHZSMPUJSSRQE-UHFFFAOYSA-N
XLogP1.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane 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 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane (CID 91843311) is 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane is Clc1cnn(CCN2CCC3(CCNCC3)C2)c1.
What is the InChIKey of 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is GLHZSMPUJSSRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c14-12-9-16-18(10-12)8-7-17-6-3-13(11-17)1-4-15-5-2-13/h9-10,15H,1-8,11H2.
What are the key properties of 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane?
2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 268.79 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloropyrazol-1-yl)ethyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91843311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).