2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine

C11H19ClN4O — CID 91844386

IUPAC2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(CCn2cc(Cl)cn2)CCO1
InChIInChI=1S/C11H19ClN4O/c12-10-7-14-16(8-10)4-3-15-5-6-17-11(9-15)1-2-13/h7-8,11H,1-6,9,13H2
InChIKeyTVXFCCJSRZAHFL-UHFFFAOYSA-N
MW258.75 g/mol
LogP0.59
Rot. Bonds5

About 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine

2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine (PubChem CID 91844386) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine
PubChem CID91844386
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine
SMILESNCCC1CN(CCn2cc(Cl)cn2)CCO1
InChIInChI=1S/C11H19ClN4O/c12-10-7-14-16(8-10)4-3-15-5-6-17-11(9-15)1-2-13/h7-8,11H,1-6,9,13H2
InChIKeyTVXFCCJSRZAHFL-UHFFFAOYSA-N
XLogP0.59
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine (CID 91844386) is 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine is NCCC1CN(CCn2cc(Cl)cn2)CCO1.
What is the InChIKey of 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine?
The InChIKey is TVXFCCJSRZAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c12-10-7-14-16(8-10)4-3-15-5-6-17-11(9-15)1-2-13/h7-8,11H,1-6,9,13H2.
What are the key properties of 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine?
2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine has a molecular weight of 258.75 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chloropyrazol-1-yl)ethyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 91844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).