2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C17H20N4O2S — CID 131680313

IUPAC2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nccc1N1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C17H20N4O2S/c1-19-14(2-7-18-19)21-10-6-17(16(21)23)4-8-20(9-5-17)15(22)13-3-11-24-12-13/h2-3,7,11-12H,4-6,8-10H2,1H3
InChIKeySKUHYUIHTAPEKB-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.14
Rot. Bonds2

About 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131680313) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131680313
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1nccc1N1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O
InChIInChI=1S/C17H20N4O2S/c1-19-14(2-7-18-19)21-10-6-17(16(21)23)4-8-20(9-5-17)15(22)13-3-11-24-12-13/h2-3,7,11-12H,4-6,8-10H2,1H3
InChIKeySKUHYUIHTAPEKB-UHFFFAOYSA-N
XLogP2.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpyrazol-3-yl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155865320
2-methyl-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680090
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 118740910
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
2-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 131680510
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
9-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680253
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 131680313) is 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is Cn1nccc1N1CCC2(CCN(C(=O)c3ccsc3)CC2)C1=O.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is SKUHYUIHTAPEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-19-14(2-7-18-19)21-10-6-17(16(21)23)4-8-20(9-5-17)15(22)13-3-11-24-12-13/h2-3,7,11-12H,4-6,8-10H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-8-(thiophene-3-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131680313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).