1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione

C10H14N4O2 — CID 79530780

IUPAC1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2cn[nH]c2N)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-6-2-8(15)14(9(16)3-6)5-7-4-12-13-10(7)11/h4,6H,2-3,5H2,1H3,(H3,11,12,13)
InChIKeyJBTCNZBNXYQZAD-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.28
Rot. Bonds2

About 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione

1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione (PubChem CID 79530780) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione
PubChem CID79530780
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(Cc2cn[nH]c2N)C(=O)C1
InChIInChI=1S/C10H14N4O2/c1-6-2-8(15)14(9(16)3-6)5-7-4-12-13-10(7)11/h4,6H,2-3,5H2,1H3,(H3,11,12,13)
InChIKeyJBTCNZBNXYQZAD-UHFFFAOYSA-N
XLogP0.28
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione (CID 79530780) is 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N(Cc2cn[nH]c2N)C(=O)C1.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione?
The InChIKey is JBTCNZBNXYQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-2-8(15)14(9(16)3-6)5-7-4-12-13-10(7)11/h4,6H,2-3,5H2,1H3,(H3,11,12,13).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione?
1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)methyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 79530780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).