N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide

C22H25N5O3 — CID 56520964

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCC2)C1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N5O3/c28-19(14-26-20(29)22(11-6-12-22)24-21(26)30)23-18-13-17(15-7-4-5-8-15)25-27(18)16-9-2-1-3-10-16/h1-3,9-10,13,15H,4-8,11-12,14H2,(H,23,28)(H,24,30)
InChIKeyCJTITKWBPSBJHP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.94
Rot. Bonds5

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide (PubChem CID 56520964) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
PubChem CID56520964
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCC2)C1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N5O3/c28-19(14-26-20(29)22(11-6-12-22)24-21(26)30)23-18-13-17(15-7-4-5-8-15)25-27(18)16-9-2-1-3-10-16/h1-3,9-10,13,15H,4-8,11-12,14H2,(H,23,28)(H,24,30)
InChIKeyCJTITKWBPSBJHP-UHFFFAOYSA-N
XLogP2.94
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.94
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-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38852056
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 38852167
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
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38846218
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
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-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 112805680
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 37376049
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide (CID 56520964) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide is O=C(CN1C(=O)NC2(CCC2)C1=O)Nc1cc(C2CCCC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide?
The InChIKey is CJTITKWBPSBJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-19(14-26-20(29)22(11-6-12-22)24-21(26)30)23-18-13-17(15-7-4-5-8-15)25-27(18)16-9-2-1-3-10-16/h1-3,9-10,13,15H,4-8,11-12,14H2,(H,23,28)(H,24,30).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide is sourced from PubChem (CID 56520964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).