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

C15H21N3O2 — CID 60977456

IUPAC3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1[nH]ncc1CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-11-12(9-16-17-11)10-18-13(19)7-15(8-14(18)20)5-3-2-4-6-15/h9H,2-8,10H2,1H3,(H,16,17)
InChIKeyWBNAIJUYYYYDDF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.32
Rot. Bonds2

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

3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 60977456) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID60977456
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1[nH]ncc1CN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-11-12(9-16-17-11)10-18-13(19)7-15(8-14(18)20)5-3-2-4-6-15/h9H,2-8,10H2,1H3,(H,16,17)
InChIKeyWBNAIJUYYYYDDF-UHFFFAOYSA-N
XLogP2.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.32
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

4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
CID 60977012
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014
3-(1H-1,2,4-triazol-5-ylmethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 54880588
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60976690
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98408871
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
8-(2H-tetrazol-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 60976124
1-[(5-amino-1H-pyrazol-4-yl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79531067
8-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 114694767
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 60977456) is 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione is Cc1[nH]ncc1CN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is WBNAIJUYYYYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-12(9-16-17-11)10-18-13(19)7-15(8-14(18)20)5-3-2-4-6-15/h9H,2-8,10H2,1H3,(H,16,17).
What are the key properties of 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 275.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 60977456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).