2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C17H23N3O2 — CID 51673134

IUPAC2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)CO1
InChIInChI=1S/C17H23N3O2/c1-13-12-22-14(2)10-19(13)11-17(21)20-9-8-16(18-20)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKKRSSXSSISFXRU-ZIAGYGMSSA-N
MW301.39 g/mol
LogP1.73
Rot. Bonds3

About 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 51673134) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID51673134
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESC[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)CO1
InChIInChI=1S/C17H23N3O2/c1-13-12-22-14(2)10-19(13)11-17(21)20-9-8-16(18-20)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKKRSSXSSISFXRU-ZIAGYGMSSA-N
XLogP1.73
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 51673134) is 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is C[C@@H]1CN(CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)CO1.
What is the InChIKey of 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is KKRSSXSSISFXRU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-12-22-14(2)10-19(13)11-17(21)20-9-8-16(18-20)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 51673134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).