2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione

C15H21N3O2 — CID 60976690

IUPAC2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1[nH]ncc1CCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H21N3O2/c1-11-12(10-16-17-11)5-4-8-18-13(19)9-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyFMXQLXHNJVQSIF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds4

About 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 60976690) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID60976690
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCc1[nH]ncc1CCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H21N3O2/c1-11-12(10-16-17-11)5-4-8-18-13(19)9-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,16,17)
InChIKeyFMXQLXHNJVQSIF-UHFFFAOYSA-N
XLogP1.97
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
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

1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazolidine-2,4,5-trione
CID 62039834
3-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 60977456
4-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-triazolidine-3,5-dione
CID 107409780
5-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513092
2-(3-chloropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 89315539
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014
2-(4-aminobutyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 62642472
4,4-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2,6-dione
CID 60977012
2-(6-hydroxyhexyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 107849640
2-pent-4-ynyl-2-azaspiro[4.6]undecane-1,3-dione
CID 106220356
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)pentanenitrile
CID 60673991
2-(1H-1,2,4-triazol-5-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 54880589

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 60976690) is 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione is Cc1[nH]ncc1CCCN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is FMXQLXHNJVQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-12(10-16-17-11)5-4-8-18-13(19)9-15(14(18)20)6-2-3-7-15/h10H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 275.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 60976690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).