1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C13H21N3O2 — CID 51698955

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C13H21N3O2/c1-10-7-16(8-11(2)18-10)13(17)5-4-12-6-14-15(3)9-12/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyAMPAAMAAPZOYDJ-GHMZBOCLSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds3

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 51698955) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID51698955
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C13H21N3O2/c1-10-7-16(8-11(2)18-10)13(17)5-4-12-6-14-15(3)9-12/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyAMPAAMAAPZOYDJ-GHMZBOCLSA-N
XLogP0.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 51698955) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is C[C@@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is AMPAAMAAPZOYDJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-16(8-11(2)18-10)13(17)5-4-12-6-14-15(3)9-12/h6,9-11H,4-5,7-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 51698955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).