2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C15H22N4O2 — CID 118738748

IUPAC2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccn(C)n2)CC1=O
InChIInChI=1S/C15H22N4O2/c1-3-18-11-15(10-13(18)20)7-4-5-8-19(15)14(21)12-6-9-17(2)16-12/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyVCUCHUUONMGJQH-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.04
Rot. Bonds2

About 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118738748) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118738748
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCCCN2C(=O)c2ccn(C)n2)CC1=O
InChIInChI=1S/C15H22N4O2/c1-3-18-11-15(10-13(18)20)7-4-5-8-19(15)14(21)12-6-9-17(2)16-12/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyVCUCHUUONMGJQH-UHFFFAOYSA-N
XLogP1.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118738748) is 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is CCN1CC2(CCCCN2C(=O)c2ccn(C)n2)CC1=O.
What is the InChIKey of 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is VCUCHUUONMGJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-18-11-15(10-13(18)20)7-4-5-8-19(15)14(21)12-6-9-17(2)16-12/h6,9H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 290.37 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118738748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).