1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

C15H24N4O2 — CID 95274182

IUPAC1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(C[C@@H]2CN(CC(=O)N3CCC3)CCO2)n1
InChIInChI=1S/C15H24N4O2/c1-12-8-13(2)19(16-12)10-14-9-17(6-7-21-14)11-15(20)18-4-3-5-18/h8,14H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyKTWGOQBYOGAAAV-AWEZNQCLSA-N
MW292.38 g/mol
LogP0.43
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone

1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone (PubChem CID 95274182) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
PubChem CID95274182
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
SMILESCc1cc(C)n(C[C@@H]2CN(CC(=O)N3CCC3)CCO2)n1
InChIInChI=1S/C15H24N4O2/c1-12-8-13(2)19(16-12)10-14-9-17(6-7-21-14)11-15(20)18-4-3-5-18/h8,14H,3-7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyKTWGOQBYOGAAAV-AWEZNQCLSA-N
XLogP0.43
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895534
N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide
CID 95277235
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95299136
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 86895544
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone (CID 95274182) is 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone is Cc1cc(C)n(C[C@@H]2CN(CC(=O)N3CCC3)CCO2)n1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone?
The InChIKey is KTWGOQBYOGAAAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-8-13(2)19(16-12)10-14-9-17(6-7-21-14)11-15(20)18-4-3-5-18/h8,14H,3-7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone?
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95274182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).