4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione

C12H19N5O2 — CID 66069067

IUPAC4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCn1ccc(N)n1
InChIInChI=1S/C12H19N5O2/c1-2-9-12(19)14-11(18)8-16(9)5-3-6-17-7-4-10(13)15-17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,13,15)(H,14,18,19)
InChIKeyYYCAWQIMASLSBW-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.41
Rot. Bonds5

About 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione

4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66069067) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione
PubChem CID66069067
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1CCCn1ccc(N)n1
InChIInChI=1S/C12H19N5O2/c1-2-9-12(19)14-11(18)8-16(9)5-3-6-17-7-4-10(13)15-17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,13,15)(H,14,18,19)
InChIKeyYYCAWQIMASLSBW-UHFFFAOYSA-N
XLogP-0.41
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-aminophenyl)ethyl]-3-ethylpiperazine-2,6-dione
CID 66069831
1-[3-(3-ethylmorpholin-4-yl)propyl]pyrazol-3-amine
CID 63310734
4-(3-azidopropyl)-3-ethylpiperazine-2,6-dione
CID 66069154
5-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 66067149
4-[3-(3-aminopyrazol-1-yl)propyl]-3,3-dimethylpiperazin-2-one
CID 63594885
3-ethyl-4-(3-pyrrolidin-2-ylpropyl)piperazine-2,6-dione
CID 66069286
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
CID 66069169
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66067136
1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093119
4-[2-[2-(aminomethyl)phenoxy]ethyl]-3-ethylpiperazine-2,6-dione
CID 66068300
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylbutanethioamide
CID 66069276
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione (CID 66069067) is 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1CCCn1ccc(N)n1.
What is the InChIKey of 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is YYCAWQIMASLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-9-12(19)14-11(18)8-16(9)5-3-6-17-7-4-10(13)15-17/h4,7,9H,2-3,5-6,8H2,1H3,(H2,13,15)(H,14,18,19).
What are the key properties of 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione?
4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopyrazol-1-yl)propyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).