[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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Related Compounds

methyl 6-oxo-6-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]hexanoate
CID 3722831
1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]pent-4-yn-1-one
CID 3848834
N-[[3-oxo-3-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]propyl]sulfanylmethyl]acetamide
CID 3822144
N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide
CID 3862367
1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
CID 4524182
2-(5-bromo-3-pyridinyl)-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone
CID 3728542
2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 3346570
1,3-benzodioxol-5-yl-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3850023
2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide
CID 4636917
(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
N-[2-nitro-4-[2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbonyl]phenyl]acetamide
CID 5147290

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).