2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C13H19N5O3 — CID 99970258

IUPAC2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)NCCc2cn[nH]c2)C1=O
InChIInChI=1S/C13H19N5O3/c1-2-5-18-12(20)10(17-13(18)21)6-11(19)14-4-3-9-7-15-16-8-9/h7-8,10H,2-6H2,1H3,(H,14,19)(H,15,16)(H,17,21)/t10-/m0/s1
InChIKeyOVPUAEJZDYIPDV-JTQLQIEISA-N
MW293.33 g/mol
LogP-0.21
Rot. Bonds7

About 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 99970258) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID99970258
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCCCN1C(=O)N[C@@H](CC(=O)NCCc2cn[nH]c2)C1=O
InChIInChI=1S/C13H19N5O3/c1-2-5-18-12(20)10(17-13(18)21)6-11(19)14-4-3-9-7-15-16-8-9/h7-8,10H,2-6H2,1H3,(H,14,19)(H,15,16)(H,17,21)/t10-/m0/s1
InChIKeyOVPUAEJZDYIPDV-JTQLQIEISA-N
XLogP-0.21
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 99970258) is 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is CCCN1C(=O)N[C@@H](CC(=O)NCCc2cn[nH]c2)C1=O.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is OVPUAEJZDYIPDV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-5-18-12(20)10(17-13(18)21)6-11(19)14-4-3-9-7-15-16-8-9/h7-8,10H,2-6H2,1H3,(H,14,19)(H,15,16)(H,17,21)/t10-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-propylimidazolidin-4-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 99970258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).