1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine

C11H20N4O — CID 62137880

IUPAC1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine
SMILESCC1(C)COCCN1CCn1cc(N)cn1
InChIInChI=1S/C11H20N4O/c1-11(2)9-16-6-5-14(11)3-4-15-8-10(12)7-13-15/h7-8H,3-6,9,12H2,1-2H3
InChIKeyGAEJJLCCJWUVDZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine (PubChem CID 62137880) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine
PubChem CID62137880
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine
SMILESCC1(C)COCCN1CCn1cc(N)cn1
InChIInChI=1S/C11H20N4O/c1-11(2)9-16-6-5-14(11)3-4-15-8-10(12)7-13-15/h7-8H,3-6,9,12H2,1-2H3
InChIKeyGAEJJLCCJWUVDZ-UHFFFAOYSA-N
XLogP0.58
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine (CID 62137880) is 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine is CC1(C)COCCN1CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine?
The InChIKey is GAEJJLCCJWUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2)9-16-6-5-14(11)3-4-15-8-10(12)7-13-15/h7-8H,3-6,9,12H2,1-2H3.
What are the key properties of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine?
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).