1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole

C10H17N3 — CID 84768017

IUPAC1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
SMILESCCc1cnn(CCC2CNC2)c1
InChIInChI=1S/C10H17N3/c1-2-9-7-12-13(8-9)4-3-10-5-11-6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyAIGQONXRWXITPG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.05
Rot. Bonds4

About 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole

1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole (PubChem CID 84768017) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
PubChem CID84768017
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
SMILESCCc1cnn(CCC2CNC2)c1
InChIInChI=1S/C10H17N3/c1-2-9-7-12-13(8-9)4-3-10-5-11-6-10/h7-8,10-11H,2-6H2,1H3
InChIKeyAIGQONXRWXITPG-UHFFFAOYSA-N
XLogP1.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.05
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]-4-ethylpyrazole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole (CID 84768017) is 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole is CCc1cnn(CCC2CNC2)c1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole?
The InChIKey is AIGQONXRWXITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9-7-12-13(8-9)4-3-10-5-11-6-10/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole?
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.05, 4 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]-4-ethylpyrazole is sourced from PubChem (CID 84768017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).