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

C17H24N4O3 — CID 56888097

IUPAC9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)O1
InChIInChI=1S/C17H24N4O3/c22-15(13-9-19-20-14(13)12-5-2-1-3-6-12)21-8-4-7-17(11-21)10-18-16(23)24-17/h9,12H,1-8,10-11H2,(H,18,23)(H,19,20)
InChIKeyZEOTXENCYFMFDY-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.17
Rot. Bonds2

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

9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56888097) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56888097
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)O1
InChIInChI=1S/C17H24N4O3/c22-15(13-9-19-20-14(13)12-5-2-1-3-6-12)21-8-4-7-17(11-21)10-18-16(23)24-17/h9,12H,1-8,10-11H2,(H,18,23)(H,19,20)
InChIKeyZEOTXENCYFMFDY-UHFFFAOYSA-N
XLogP2.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56888097) is 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCN(C(=O)c3cn[nH]c3C3CCCCC3)C2)O1.
What is the InChIKey of 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ZEOTXENCYFMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-15(13-9-19-20-14(13)12-5-2-1-3-6-12)21-8-4-7-17(11-21)10-18-16(23)24-17/h9,12H,1-8,10-11H2,(H,18,23)(H,19,20).
What are the key properties of 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 332.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56888097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).