1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone

C16H19N3O2 — CID 42508590

IUPAC1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C16H19N3O2/c20-16(13-19-8-4-7-17-19)18-9-10-21-15(12-18)11-14-5-2-1-3-6-14/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyXEVMTRPLDNQXNB-HNNXBMFYSA-N
MW285.35 g/mol
LogP1.35
Rot. Bonds4

About 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone

1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone (PubChem CID 42508590) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
PubChem CID42508590
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C16H19N3O2/c20-16(13-19-8-4-7-17-19)18-9-10-21-15(12-18)11-14-5-2-1-3-6-14/h1-8,15H,9-13H2/t15-/m0/s1
InChIKeyXEVMTRPLDNQXNB-HNNXBMFYSA-N
XLogP1.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42395968
1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 81483915
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
1-[(2S)-2-benzylmorpholin-4-yl]-3-thiophen-3-ylpropan-1-one
CID 25447592
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(2R)-2-benzyl-N-[(1S)-1-pyridin-4-ylpropyl]morpholine-4-carboxamide
CID 97337265

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone (CID 42508590) is 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
The InChIKey is XEVMTRPLDNQXNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(13-19-8-4-7-17-19)18-9-10-21-15(12-18)11-14-5-2-1-3-6-14/h1-8,15H,9-13H2/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone?
1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone has a molecular weight of 285.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-benzylmorpholin-4-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 42508590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).