(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one

C17H21N3O2 — CID 95583669

IUPAC(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H21N3O2/c1-13-11-19(17(21)14(2)20-10-6-9-18-20)12-16(22-13)15-7-4-3-5-8-15/h3-10,13-14,16H,11-12H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAIBAWANWFHFQAJ-IIAWOOMASA-N
MW299.37 g/mol
LogP2.43
Rot. Bonds3

About (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one

(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 95583669) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID95583669
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C17H21N3O2/c1-13-11-19(17(21)14(2)20-10-6-9-18-20)12-16(22-13)15-7-4-3-5-8-15/h3-10,13-14,16H,11-12H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyAIBAWANWFHFQAJ-IIAWOOMASA-N
XLogP2.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one (CID 95583669) is (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)n2cccn2)C[C@H](c2ccccc2)O1.
What is the InChIKey of (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is AIBAWANWFHFQAJ-IIAWOOMASA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-11-19(17(21)14(2)20-10-6-9-18-20)12-16(22-13)15-7-4-3-5-8-15/h3-10,13-14,16H,11-12H2,1-2H3/t13-,14-,16-/m1/s1.
What are the key properties of (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 95583669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).