[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

C11H17N3O2 — CID 35294940

IUPAC[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-8-5-14(6-9(2)16-8)11(15)10-4-12-13(3)7-10/h4,7-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAZGKINYWMZCZGK-RKDXNWHRSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds1

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 35294940) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID35294940
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-8-5-14(6-9(2)16-8)11(15)10-4-12-13(3)7-10/h4,7-9H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyAZGKINYWMZCZGK-RKDXNWHRSA-N
XLogP0.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102938421
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[3-(2-methylpropyl)azetidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 176873225
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(1-methylpyrazol-4-yl)methanone
CID 74881679
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (CID 35294940) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone is C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is AZGKINYWMZCZGK-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-5-14(6-9(2)16-8)11(15)10-4-12-13(3)7-10/h4,7-9H,5-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 35294940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).