[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate

C24H22N2O3 — CID 54556262

IUPAC[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
SMILESC[C@@H](OC(=O)N1NC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17(18-11-5-2-6-12-18)29-24(28)26-22(20-15-9-4-10-16-20)21(23(27)25-26)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,27)/t17-,21-,22-/m1/s1
InChIKeyZNJFKWGUUGUYFI-ZPMCFJSWSA-N
MW386.45 g/mol
LogP4.76
Rot. Bonds4

About [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate

[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate (PubChem CID 54556262) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
PubChem CID54556262
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
SMILESC[C@@H](OC(=O)N1NC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-17(18-11-5-2-6-12-18)29-24(28)26-22(20-15-9-4-10-16-20)21(23(27)25-26)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,27)/t17-,21-,22-/m1/s1
InChIKeyZNJFKWGUUGUYFI-ZPMCFJSWSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 23372153
(4-nitrophenyl) 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 15287761
bis(1-phenylethyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 87273977
3-oxo-4,5-diphenyl-N-(4-propylphenyl)pyrazolidine-1-carboxamide
CID 15287750
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
3-oxo-4,5-diphenyl-N-(4-phenylmethoxyphenyl)pyrazolidine-1-carboxamide
CID 15220953
2,4-diphenyl-3-(1-phenylethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 123842840
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
1-phenylethyl benzoate
CID 174857426
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
[(1R)-1-phenylethyl] 2-oxoacetate
CID 54399353

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate?
The IUPAC name of [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate (CID 54556262) is [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate.
What is the SMILES notation for [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate?
The canonical SMILES for [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate is C[C@@H](OC(=O)N1NC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate?
The InChIKey is ZNJFKWGUUGUYFI-ZPMCFJSWSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17(18-11-5-2-6-12-18)29-24(28)26-22(20-15-9-4-10-16-20)21(23(27)25-26)19-13-7-3-8-14-19/h2-17,21-22H,1H3,(H,25,27)/t17-,21-,22-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate?
[(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] (4R,5S)-3-oxo-4,5-diphenylpyrazolidine-1-carboxylate is sourced from PubChem (CID 54556262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).