[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate

C17H20N2O4 — CID 5016357

IUPAC[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate
SMILESCC(=O)OCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4/c1-13(20)23-12-15(21)18-10-5-11-19(18)16(22)17(8-9-17)14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3
InChIKeyHZTCGIMTAJDIJA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.26
Rot. Bonds4

About [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate

[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate (PubChem CID 5016357) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate
PubChem CID5016357
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate
SMILESCC(=O)OCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H20N2O4/c1-13(20)23-12-15(21)18-10-5-11-19(18)16(22)17(8-9-17)14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3
InChIKeyHZTCGIMTAJDIJA-UHFFFAOYSA-N
XLogP1.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate?
The IUPAC name of [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate (CID 5016357) is [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate is CC(=O)OCC(=O)N1CCCN1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate?
The InChIKey is HZTCGIMTAJDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-13(20)23-12-15(21)18-10-5-11-19(18)16(22)17(8-9-17)14-6-3-2-4-7-14/h2-4,6-7H,5,8-12H2,1H3.
What are the key properties of [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate?
[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate has a molecular weight of 316.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl] acetate is sourced from PubChem (CID 5016357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).