9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H16N4O3S — CID 56904423

IUPAC9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3cn[nH]c3-c3cccs3)C2)O1
InChIInChI=1S/C15H16N4O3S/c20-13(10-7-17-18-12(10)11-3-1-6-23-11)19-5-2-4-15(9-19)8-16-14(21)22-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,21)(H,17,18)
InChIKeyQEQTWHWIBYDIKP-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.85
Rot. Bonds2

About 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56904423) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56904423
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3cn[nH]c3-c3cccs3)C2)O1
InChIInChI=1S/C15H16N4O3S/c20-13(10-7-17-18-12(10)11-3-1-6-23-11)19-5-2-4-15(9-19)8-16-14(21)22-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,21)(H,17,18)
InChIKeyQEQTWHWIBYDIKP-UHFFFAOYSA-N
XLogP1.85
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56904423) is 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCN(C(=O)c3cn[nH]c3-c3cccs3)C2)O1.
What is the InChIKey of 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is QEQTWHWIBYDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-13(10-7-17-18-12(10)11-3-1-6-23-11)19-5-2-4-15(9-19)8-16-14(21)22-15/h1,3,6-7H,2,4-5,8-9H2,(H,16,21)(H,17,18).
What are the key properties of 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 332.38 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56904423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).