N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C24H31N5O3 — CID 38852167

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H31N5O3/c1-23(2,3)18-15-19(29(27-18)17-11-7-6-8-12-17)25-20(30)16-28-21(31)24(26-22(28)32)13-9-4-5-10-14-24/h6-8,11-12,15H,4-5,9-10,13-14,16H2,1-3H3,(H,25,30)(H,26,32)
InChIKeyQFPYIUYXUIDACE-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.75
Rot. Bonds4

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 38852167) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID38852167
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H31N5O3/c1-23(2,3)18-15-19(29(27-18)17-11-7-6-8-12-17)25-20(30)16-28-21(31)24(26-22(28)32)13-9-4-5-10-14-24/h6-8,11-12,15H,4-5,9-10,13-14,16H2,1-3H3,(H,25,30)(H,26,32)
InChIKeyQFPYIUYXUIDACE-UHFFFAOYSA-N
XLogP3.75
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 55354818
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46427886
N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38852056
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 56550857
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 124742746

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 38852167) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is QFPYIUYXUIDACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-23(2,3)18-15-19(29(27-18)17-11-7-6-8-12-17)25-20(30)16-28-21(31)24(26-22(28)32)13-9-4-5-10-14-24/h6-8,11-12,15H,4-5,9-10,13-14,16H2,1-3H3,(H,25,30)(H,26,32).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 38852167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).