4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one

C12H19N5O2 — CID 86283967

IUPAC4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCc1cc(N)n(CC(=O)N2CCN(C)C(=O)C2C)n1
InChIInChI=1S/C12H19N5O2/c1-8-6-10(13)17(14-8)7-11(18)16-5-4-15(3)12(19)9(16)2/h6,9H,4-5,7,13H2,1-3H3
InChIKeyXJLZRJFTHGCXBY-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.54
Rot. Bonds2

About 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one

4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one (PubChem CID 86283967) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one
PubChem CID86283967
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one
SMILESCc1cc(N)n(CC(=O)N2CCN(C)C(=O)C2C)n1
InChIInChI=1S/C12H19N5O2/c1-8-6-10(13)17(14-8)7-11(18)16-5-4-15(3)12(19)9(16)2/h6,9H,4-5,7,13H2,1-3H3
InChIKeyXJLZRJFTHGCXBY-UHFFFAOYSA-N
XLogP-0.54
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one (CID 86283967) is 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one is Cc1cc(N)n(CC(=O)N2CCN(C)C(=O)C2C)n1.
What is the InChIKey of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is XJLZRJFTHGCXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-6-10(13)17(14-8)7-11(18)16-5-4-15(3)12(19)9(16)2/h6,9H,4-5,7,13H2,1-3H3.
What are the key properties of 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one?
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 86283967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).