8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H25N5O4 — CID 166618906

IUPAC8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH][nH]c(=O)c1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C17H25N5O4/c1-10(2)9-22-16(26)18-15(25)17(22)4-6-21(7-5-17)13(23)8-12-11(3)19-20-14(12)24/h10H,4-9H2,1-3H3,(H,18,25,26)(H2,19,20,24)
InChIKeyOAIKRHFJFKNPJA-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.12
Rot. Bonds4

About 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166618906) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166618906
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH][nH]c(=O)c1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C
InChIInChI=1S/C17H25N5O4/c1-10(2)9-22-16(26)18-15(25)17(22)4-6-21(7-5-17)13(23)8-12-11(3)19-20-14(12)24/h10H,4-9H2,1-3H3,(H,18,25,26)(H2,19,20,24)
InChIKeyOAIKRHFJFKNPJA-UHFFFAOYSA-N
XLogP0.12
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166618906) is 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1[nH][nH]c(=O)c1CC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC(C)C.
What is the InChIKey of 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OAIKRHFJFKNPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-10(2)9-22-16(26)18-15(25)17(22)4-6-21(7-5-17)13(23)8-12-11(3)19-20-14(12)24/h10H,4-9H2,1-3H3,(H,18,25,26)(H2,19,20,24).
What are the key properties of 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166618906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).