1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

C12H18N4O2 — CID 79530277

IUPAC1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCn1ncc(CN2C(=O)CC(C)(C)CC2=O)c1N
InChIInChI=1S/C12H18N4O2/c1-12(2)4-9(17)16(10(18)5-12)7-8-6-14-15(3)11(8)13/h6H,4-5,7,13H2,1-3H3
InChIKeyWLWMARIWXORCBP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.68
Rot. Bonds2

About 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione

1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 79530277) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID79530277
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCn1ncc(CN2C(=O)CC(C)(C)CC2=O)c1N
InChIInChI=1S/C12H18N4O2/c1-12(2)4-9(17)16(10(18)5-12)7-8-6-14-15(3)11(8)13/h6H,4-5,7,13H2,1-3H3
InChIKeyWLWMARIWXORCBP-UHFFFAOYSA-N
XLogP0.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.68
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 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione (CID 79530277) is 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is Cn1ncc(CN2C(=O)CC(C)(C)CC2=O)c1N.
What is the InChIKey of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is WLWMARIWXORCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2)4-9(17)16(10(18)5-12)7-8-6-14-15(3)11(8)13/h6H,4-5,7,13H2,1-3H3.
What are the key properties of 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 250.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 79530277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).