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

C15H21N3O2 — CID 43804805

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-10-14(11(2)17-16-10)18-12(19)8-15(9-13(18)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,17)
InChIKeyTWQCPRKVRRJYRP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.63
Rot. Bonds1

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 43804805) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID43804805
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-10-14(11(2)17-16-10)18-12(19)8-15(9-13(18)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,17)
InChIKeyTWQCPRKVRRJYRP-UHFFFAOYSA-N
XLogP2.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione 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

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
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115946879
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43547642
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60791586
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
CID 61036933
8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976378
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
3-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-1H-pyrazole-5-carboxylic acid
CID 64527897
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255
3-(3-chloro-2-pyridinyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 103094586

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione (CID 43804805) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione is Cc1n[nH]c(C)c1N1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is TWQCPRKVRRJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-14(11(2)17-16-10)18-12(19)8-15(9-13(18)20)6-4-3-5-7-15/h3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 275.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 43804805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).