[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone

C14H21N3O3 — CID 129478229

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O3/c1-9-6-17(7-10(2)20-9)14(18)12-5-15-16-13(12)11-3-4-19-8-11/h5,9-11H,3-4,6-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m0/s1
InChIKeyVWJCFTFZMNRMNM-AXFHLTTASA-N
MW279.34 g/mol
LogP1.16
Rot. Bonds2

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone (PubChem CID 129478229) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
PubChem CID129478229
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)C[C@H](C)O1
InChIInChI=1S/C14H21N3O3/c1-9-6-17(7-10(2)20-9)14(18)12-5-15-16-13(12)11-3-4-19-8-11/h5,9-11H,3-4,6-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m0/s1
InChIKeyVWJCFTFZMNRMNM-AXFHLTTASA-N
XLogP1.16
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337050
cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337051
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129330408
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129333550
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 126417127
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959820
[5-(1-benzylpiperidin-4-yl)-1H-pyrazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 92584441
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethanone
CID 92584406
(2,6-dimethylmorpholin-4-yl)-[5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236637
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 124983801

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone (CID 129478229) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The InChIKey is VWJCFTFZMNRMNM-AXFHLTTASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-6-17(7-10(2)20-9)14(18)12-5-15-16-13(12)11-3-4-19-8-11/h5,9-11H,3-4,6-8H2,1-2H3,(H,15,16)/t9-,10+,11-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 129478229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).