[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

C11H17N3O2 — CID 1219704

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-8-6-14(7-9(2)16-8)11(15)10-4-5-13(3)12-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyWVYVTUVSVLWDLN-IUCAKERBSA-N
MW223.28 g/mol
LogP0.67
Rot. Bonds1

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 1219704) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID1219704
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESC[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H](C)O1
InChIInChI=1S/C11H17N3O2/c1-8-6-14(7-9(2)16-8)11(15)10-4-5-13(3)12-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyWVYVTUVSVLWDLN-IUCAKERBSA-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

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 35294940
(2,6-dimethylmorpholin-4-yl)-(1-methylpyrazol-4-yl)methanone
CID 45147620
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 110108567
(5-methyloxolan-2-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133785
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 1219704) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is C[C@H]1CN(C(=O)c2ccn(C)n2)C[C@H](C)O1.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is WVYVTUVSVLWDLN-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-14(7-9(2)16-8)11(15)10-4-5-13(3)12-10/h4-5,8-9H,6-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-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 [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 1219704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).