3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one

C8H11N3O2S — CID 154859786

IUPAC3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)N2CCSCC2)=NN1
InChIInChI=1S/C8H11N3O2S/c12-7-5-6(9-10-7)8(13)11-1-3-14-4-2-11/h1-5H2,(H,10,12)
InChIKeyNGCIBBIBGJAGGE-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.56
Rot. Bonds1

About 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one

3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one (PubChem CID 154859786) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one
PubChem CID154859786
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C(=O)N2CCSCC2)=NN1
InChIInChI=1S/C8H11N3O2S/c12-7-5-6(9-10-7)8(13)11-1-3-14-4-2-11/h1-5H2,(H,10,12)
InChIKeyNGCIBBIBGJAGGE-UHFFFAOYSA-N
XLogP-0.56
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-thiazepane-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60775995
3-(4-methylpiperazine-1-carbonyl)-1,4-dihydropyrazol-5-one
CID 110467696
3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)-1,4-dihydropyrazol-5-one
CID 154860513
3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
3-(pyrazole-1-carbonyl)-1,4-dihydropyrazol-5-one
CID 110467670
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839
3-(2-ethylthiomorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 115661660
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931
3-[(1R,2S,4S,5S)-6-azatricyclo[3.2.1.02,4]octane-6-carbonyl]-1,4-dihydropyrazol-5-one
CID 154871010
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087

Frequently Asked Questions

What is the IUPAC name of 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one (CID 154859786) is 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one is O=C1CC(C(=O)N2CCSCC2)=NN1.
What is the InChIKey of 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one?
The InChIKey is NGCIBBIBGJAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-7-5-6(9-10-7)8(13)11-1-3-14-4-2-11/h1-5H2,(H,10,12).
What are the key properties of 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one?
3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one has a molecular weight of 213.26 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiomorpholine-4-carbonyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 154859786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).