8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione

C14H19N3O2 — CID 61069648

IUPAC8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-9-13(10(2)16-15-9)17-11(18)7-14(8-12(17)19)5-3-4-6-14/h3-8H2,1-2H3,(H,15,16)
InChIKeyLOJKZULBCQRJEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds1

About 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione

8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 61069648) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID61069648
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-9-13(10(2)16-15-9)17-11(18)7-14(8-12(17)19)5-3-4-6-14/h3-8H2,1-2H3,(H,15,16)
InChIKeyLOJKZULBCQRJEI-UHFFFAOYSA-N
XLogP2.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
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
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255
4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione
CID 43547727
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione (CID 61069648) is 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione is Cc1n[nH]c(C)c1N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LOJKZULBCQRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-13(10(2)16-15-9)17-11(18)7-14(8-12(17)19)5-3-4-6-14/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione?
8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 261.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 61069648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).