5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine

C12H22N4O — CID 66013961

IUPAC5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC(C)OC(C)C2)c1N
InChIInChI=1S/C12H22N4O/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)17-9(3)7-16/h8-9H,5-7,13H2,1-4H3
InChIKeyLRZQWRVQTRYAGR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.18
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66013961) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66013961
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC(C)OC(C)C2)c1N
InChIInChI=1S/C12H22N4O/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)17-9(3)7-16/h8-9H,5-7,13H2,1-4H3
InChIKeyLRZQWRVQTRYAGR-UHFFFAOYSA-N
XLogP1.18
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 66013961) is 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CC(C)OC(C)C2)c1N.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is LRZQWRVQTRYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-11(13)12(15(4)14-10)16-6-8(2)17-9(3)7-16/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66013961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).