N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide

C26H28FN3O — CID 50990139

IUPACN,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide
SMILESO=C(CCC1CC(c2ccc(F)cc2)NN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H28FN3O/c27-23-13-11-22(12-14-23)25-17-24(28-29-25)15-16-26(31)30(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-14,24-25,28-29H,15-19H2
InChIKeyMNISYFDNZQKNPR-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.74
Rot. Bonds8

About N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide

N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide (PubChem CID 50990139) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide
PubChem CID50990139
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide
SMILESO=C(CCC1CC(c2ccc(F)cc2)NN1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H28FN3O/c27-23-13-11-22(12-14-23)25-17-24(28-29-25)15-16-26(31)30(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-14,24-25,28-29H,15-19H2
InChIKeyMNISYFDNZQKNPR-UHFFFAOYSA-N
XLogP4.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide?
The IUPAC name of N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide (CID 50990139) is N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide.
What is the SMILES notation for N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide?
The canonical SMILES for N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide is O=C(CCC1CC(c2ccc(F)cc2)NN1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide?
The InChIKey is MNISYFDNZQKNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-23-13-11-22(12-14-23)25-17-24(28-29-25)15-16-26(31)30(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-14,24-25,28-29H,15-19H2.
What are the key properties of N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide?
N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[5-(4-fluorophenyl)pyrazolidin-3-yl]propanamide is sourced from PubChem (CID 50990139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).