N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide

C10H15N5O2 — CID 54921208

IUPACN-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCn1ccc(NC(=O)C(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15N5O2/c1-14-5-2-8(13-14)12-9(16)10(17)15-6-3-11-4-7-15/h2,5,11H,3-4,6-7H2,1H3,(H,12,13,16)
InChIKeyLDLWINQNNHXTQU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.21
Rot. Bonds1

About N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide

N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 54921208) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID54921208
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCn1ccc(NC(=O)C(=O)N2CCNCC2)n1
InChIInChI=1S/C10H15N5O2/c1-14-5-2-8(13-14)12-9(16)10(17)15-6-3-11-4-7-15/h2,5,11H,3-4,6-7H2,1H3,(H,12,13,16)
InChIKeyLDLWINQNNHXTQU-UHFFFAOYSA-N
XLogP-1.21
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide (CID 54921208) is N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide is Cn1ccc(NC(=O)C(=O)N2CCNCC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is LDLWINQNNHXTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-14-5-2-8(13-14)12-9(16)10(17)15-6-3-11-4-7-15/h2,5,11H,3-4,6-7H2,1H3,(H,12,13,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide?
N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 237.26 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54921208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).