1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole

C12H21N3 — CID 107391392

IUPAC1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC2CNC2)n1
InChIInChI=1S/C12H21N3/c1-3-11-7-12(4-2)15(14-11)6-5-10-8-13-9-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyMDXZTIXCGKYFDW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole

1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole (PubChem CID 107391392) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
PubChem CID107391392
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
SMILESCCc1cc(CC)n(CCC2CNC2)n1
InChIInChI=1S/C12H21N3/c1-3-11-7-12(4-2)15(14-11)6-5-10-8-13-9-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyMDXZTIXCGKYFDW-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole (CID 107391392) is 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole is CCc1cc(CC)n(CCC2CNC2)n1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole?
The InChIKey is MDXZTIXCGKYFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-11-7-12(4-2)15(14-11)6-5-10-8-13-9-10/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole?
1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole has a molecular weight of 207.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole is sourced from PubChem (CID 107391392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).