[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone

C18H23N3O3 — CID 129484804

IUPAC[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C18H23N3O3/c1-18(2)13-20(11-15(24-18)12-23-3)17(22)16-9-10-19-21(16)14-7-5-4-6-8-14/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1
InChIKeyFDUJPAUFBZBHJS-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.14
Rot. Bonds4

About [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone

[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone (PubChem CID 129484804) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
PubChem CID129484804
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone
SMILESCOC[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)CC(C)(C)O1
InChIInChI=1S/C18H23N3O3/c1-18(2)13-20(11-15(24-18)12-23-3)17(22)16-9-10-19-21(16)14-7-5-4-6-8-14/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1
InChIKeyFDUJPAUFBZBHJS-OAHLLOKOSA-N
XLogP2.14
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone (CID 129484804) is [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone is COC[C@H]1CN(C(=O)c2ccnn2-c2ccccc2)CC(C)(C)O1.
What is the InChIKey of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is FDUJPAUFBZBHJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2)13-20(11-15(24-18)12-23-3)17(22)16-9-10-19-21(16)14-7-5-4-6-8-14/h4-10,15H,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone?
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 129484804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).