5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one

C16H19N3O4 — CID 166385290

IUPAC5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
SMILESO=C(CCOc1ccccc1)N1CCOCC1c1cc(=O)[nH][nH]1
InChIInChI=1S/C16H19N3O4/c20-15-10-13(17-18-15)14-11-22-9-7-19(14)16(21)6-8-23-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H2,17,18,20)
InChIKeyMBCWNFPJDOIJET-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.07
Rot. Bonds5

About 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one

5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one (PubChem CID 166385290) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
PubChem CID166385290
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
SMILESO=C(CCOc1ccccc1)N1CCOCC1c1cc(=O)[nH][nH]1
InChIInChI=1S/C16H19N3O4/c20-15-10-13(17-18-15)14-11-22-9-7-19(14)16(21)6-8-23-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H2,17,18,20)
InChIKeyMBCWNFPJDOIJET-UHFFFAOYSA-N
XLogP1.07
TPSA87.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
5-[4-(2-methylthiophene-3-carbonyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one
CID 167943482
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 49095993
1-[(6S)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]-3-phenoxypropan-1-one
CID 124974870
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
CID 119216664
3-phenoxy-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 124950436

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one (CID 166385290) is 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one is O=C(CCOc1ccccc1)N1CCOCC1c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
The InChIKey is MBCWNFPJDOIJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-15-10-13(17-18-15)14-11-22-9-7-19(14)16(21)6-8-23-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H2,17,18,20).
What are the key properties of 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one?
5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one has a molecular weight of 317.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 166385290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).