(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one

C18H21N3O3 — CID 97320552

IUPAC(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)n1cccn1
InChIInChI=1S/C18H21N3O3/c1-14(21-9-5-8-19-21)18(23)20-10-11-24-13-16(20)12-17(22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3/t14-,16+/m0/s1
InChIKeyLBBGHVPGVFQCSL-GOEBONIOSA-N
MW327.38 g/mol
LogP1.94
Rot. Bonds5

About (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one

(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 97320552) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID97320552
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)n1cccn1
InChIInChI=1S/C18H21N3O3/c1-14(21-9-5-8-19-21)18(23)20-10-11-24-13-16(20)12-17(22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3/t14-,16+/m0/s1
InChIKeyLBBGHVPGVFQCSL-GOEBONIOSA-N
XLogP1.94
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenacylmorpholin-4-yl)-2-pyrazol-1-ylpropan-1-one
CID 75426175
1-(4-methylphenyl)-4-[(3S)-3-phenacylmorpholin-4-yl]butane-1,4-dione
CID 97320578
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
2-[4-(2-ethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-1-phenylethanone
CID 75426196
1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
CID 86796786
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572
2-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-phenylethanone
CID 75426197
2-[(3S)-4-(2-methylsulfanylethyl)morpholin-3-yl]-1-phenylethanone
CID 99855759
2-[(3R)-4-[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]morpholin-3-yl]-1-phenylethanone
CID 124740066
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one (CID 97320552) is (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one is C[C@@H](C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1)n1cccn1.
What is the InChIKey of (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is LBBGHVPGVFQCSL-GOEBONIOSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14(21-9-5-8-19-21)18(23)20-10-11-24-13-16(20)12-17(22)15-6-3-2-4-7-15/h2-9,14,16H,10-13H2,1H3/t14-,16+/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one?
(2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 327.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-phenacylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 97320552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).