4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C14H18N4O3 — CID 115946879

IUPAC4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1n[nH]c(C)c1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-8-10(9(2)17-16-8)18-12(20)14(6-4-3-5-7-14)11(19)15-13(18)21/h3-7H2,1-2H3,(H,16,17)(H,15,19,21)
InChIKeyAXFQKHZQJPGSHE-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.56
Rot. Bonds1

About 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 115946879) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID115946879
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESCc1n[nH]c(C)c1N1C(=O)NC(=O)C2(CCCCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-8-10(9(2)17-16-8)18-12(20)14(6-4-3-5-7-14)11(19)15-13(18)21/h3-7H2,1-2H3,(H,16,17)(H,15,19,21)
InChIKeyAXFQKHZQJPGSHE-UHFFFAOYSA-N
XLogP1.56
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069648
1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
CID 43547645
9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948843
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
9-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946436
9-(4-bromo-3-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946332
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60791586
9-(1-methylpyrazol-4-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599344
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43547642
8-(2,4,6-tribromophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946615

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 115946879) is 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is Cc1n[nH]c(C)c1N1C(=O)NC(=O)C2(CCCCC2)C1=O.
What is the InChIKey of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is AXFQKHZQJPGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-10(9(2)17-16-8)18-12(20)14(6-4-3-5-7-14)11(19)15-13(18)21/h3-7H2,1-2H3,(H,16,17)(H,15,19,21).
What are the key properties of 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 290.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 115946879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).