3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one

C14H24N4O2 — CID 120874001

IUPAC3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)CC(C)N
InChIInChI=1S/C14H24N4O2/c1-9(15)7-13(19)18-5-6-20-8-12(18)14-10(2)16-17(4)11(14)3/h9,12H,5-8,15H2,1-4H3
InChIKeyZOVJYHLYZMVGMC-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.67
Rot. Bonds3

About 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one

3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one (PubChem CID 120874001) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
PubChem CID120874001
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)CC(C)N
InChIInChI=1S/C14H24N4O2/c1-9(15)7-13(19)18-5-6-20-8-12(18)14-10(2)16-17(4)11(14)3/h9,12H,5-8,15H2,1-4H3
InChIKeyZOVJYHLYZMVGMC-UHFFFAOYSA-N
XLogP0.67
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one?
The IUPAC name of 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one (CID 120874001) is 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one is Cc1nn(C)c(C)c1C1COCCN1C(=O)CC(C)N.
What is the InChIKey of 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one?
The InChIKey is ZOVJYHLYZMVGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(15)7-13(19)18-5-6-20-8-12(18)14-10(2)16-17(4)11(14)3/h9,12H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one?
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 120874001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).