1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one

C13H21N3O2 — CID 70756061

IUPAC1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C13H21N3O2/c1-2-12-11-18-10-9-16(12)13(17)5-3-7-15-8-4-6-14-15/h4,6,8,12H,2-3,5,7,9-11H2,1H3/t12-/m0/s1
InChIKeyWAMAKZGDLYLUAH-LBPRGKRZSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds5

About 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one

1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one (PubChem CID 70756061) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
PubChem CID70756061
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCCn1cccn1
InChIInChI=1S/C13H21N3O2/c1-2-12-11-18-10-9-16(12)13(17)5-3-7-15-8-4-6-14-15/h4,6,8,12H,2-3,5,7,9-11H2,1H3/t12-/m0/s1
InChIKeyWAMAKZGDLYLUAH-LBPRGKRZSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
2-(Cyclopropylmethoxy)-1-(3-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 53555509
1-(3-Pyrazol-1-ylpiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53575427
1-(3-ethoxypropanoyl)-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 70746805
1-(4-Methoxypiperidin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71943645
4-({4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinyl}carbonyl)morpholine
CID 72880842
ethyl 4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinecarboxylate
CID 72939762
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
CID 94171767
ethyl 4-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-4-oxobutanoate
CID 52906692
ethyl 4-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-4-oxobutanoate
CID 52907328
4-(1H-pyrazol-1-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)butanamide
CID 49331906
2-(Cyclopropylmethoxy)-1-(3-pyrazol-1-ylpiperidin-1-yl)propan-1-one
CID 53562290

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one (CID 70756061) is 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one is CC[C@H]1COCCN1C(=O)CCCn1cccn1.
What is the InChIKey of 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one?
The InChIKey is WAMAKZGDLYLUAH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-12-11-18-10-9-16(12)13(17)5-3-7-15-8-4-6-14-15/h4,6,8,12H,2-3,5,7,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one?
1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethylmorpholin-4-yl]-4-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 70756061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).