benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate

C23H26FN3O4 — CID 20724746

IUPACbenzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate
SMILESO=C(Cc1ccc(F)cc1)N1CC(N2CCOCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H26FN3O4/c24-20-8-6-18(7-9-20)14-22(28)26-15-21(25-10-12-30-13-11-25)16-27(26)23(29)31-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2
InChIKeyYICJZRMFELYBLK-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.46
Rot. Bonds5

About benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate

benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate (PubChem CID 20724746) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate
PubChem CID20724746
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Namebenzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate
SMILESO=C(Cc1ccc(F)cc1)N1CC(N2CCOCC2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C23H26FN3O4/c24-20-8-6-18(7-9-20)14-22(28)26-15-21(25-10-12-30-13-11-25)16-27(26)23(29)31-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2
InChIKeyYICJZRMFELYBLK-UHFFFAOYSA-N
XLogP2.46
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate?
The IUPAC name of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate (CID 20724746) is benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate is O=C(Cc1ccc(F)cc1)N1CC(N2CCOCC2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate?
The InChIKey is YICJZRMFELYBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4/c24-20-8-6-18(7-9-20)14-22(28)26-15-21(25-10-12-30-13-11-25)16-27(26)23(29)31-17-19-4-2-1-3-5-19/h1-9,21H,10-17H2.
What are the key properties of benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate?
benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate has a molecular weight of 427.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(4-fluorophenyl)acetyl]-4-morpholin-4-ylpyrazolidine-1-carboxylate is sourced from PubChem (CID 20724746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).