5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine

C11H20N4O — CID 118280581

IUPAC5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CCN1CCOC[C@@H]1C
InChIInChI=1S/C11H20N4O/c1-9-8-16-6-5-14(9)3-4-15-10(2)11(12)7-13-15/h7,9H,3-6,8,12H2,1-2H3/t9-/m0/s1
InChIKeyDEYMUPCSDCGFNN-VIFPVBQESA-N
MW224.31 g/mol
LogP0.49
Rot. Bonds3

About 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine

5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine (PubChem CID 118280581) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
PubChem CID118280581
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CCN1CCOC[C@@H]1C
InChIInChI=1S/C11H20N4O/c1-9-8-16-6-5-14(9)3-4-15-10(2)11(12)7-13-15/h7,9H,3-6,8,12H2,1-2H3/t9-/m0/s1
InChIKeyDEYMUPCSDCGFNN-VIFPVBQESA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine (CID 118280581) is 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine is Cc1c(N)cnn1CCN1CCOC[C@@H]1C.
What is the InChIKey of 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine?
The InChIKey is DEYMUPCSDCGFNN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-8-16-6-5-14(9)3-4-15-10(2)11(12)7-13-15/h7,9H,3-6,8,12H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine?
5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 118280581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).