2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione

C14H20N4O2 — CID 79503838

IUPAC2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCn1ncc(CN)c1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N4O2/c1-17-12(10(8-15)9-16-17)18-11(19)7-14(13(18)20)5-3-2-4-6-14/h9H,2-8,15H2,1H3
InChIKeyYTZJHJLWKPAGKD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds2

About 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione

2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 79503838) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID79503838
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCn1ncc(CN)c1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N4O2/c1-17-12(10(8-15)9-16-17)18-11(19)7-14(13(18)20)5-3-2-4-6-14/h9H,2-8,15H2,1H3
InChIKeyYTZJHJLWKPAGKD-UHFFFAOYSA-N
XLogP1.09
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione (CID 79503838) is 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione is Cn1ncc(CN)c1N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is YTZJHJLWKPAGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-12(10(8-15)9-16-17)18-11(19)7-14(13(18)20)5-3-2-4-6-14/h9H,2-8,15H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione?
2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 276.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-methylpyrazol-5-yl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 79503838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).