2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C16H24N4O3 — CID 72847204

IUPAC2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)c3cc(=O)[nH][nH]3)CC2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-11(2)9-20-10-16(8-14(20)22)3-5-19(6-4-16)15(23)12-7-13(21)18-17-12/h7,11H,3-6,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyZISFYPVSFCKFLS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.81
Rot. Bonds3

About 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72847204) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72847204
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)CN1CC2(CCN(C(=O)c3cc(=O)[nH][nH]3)CC2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-11(2)9-20-10-16(8-14(20)22)3-5-19(6-4-16)15(23)12-7-13(21)18-17-12/h7,11H,3-6,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyZISFYPVSFCKFLS-UHFFFAOYSA-N
XLogP0.81
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
CID 90224495
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
1-(5-Oxo-1,2-dihydropyrazole-3-carbonyl)piperidine-4-carboxamide
CID 112513837
N-[(1-isobutyryl-4-piperidinyl)methyl]-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxamide
CID 162631031

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72847204) is 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)CN1CC2(CCN(C(=O)c3cc(=O)[nH][nH]3)CC2)CC1=O.
What is the InChIKey of 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZISFYPVSFCKFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)9-20-10-16(8-14(20)22)3-5-19(6-4-16)15(23)12-7-13(21)18-17-12/h7,11H,3-6,8-10H2,1-2H3,(H2,17,18,21).
What are the key properties of 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 320.39 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-8-(5-oxo-1,2-dihydropyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72847204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).