N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide

C18H27FN4O — CID 75258810

IUPACN-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(CC2CNNC2c2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN4O/c1-3-23(13(2)24)17-8-9-22(12-17)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,15,17-18,20-21H,3,8-12H2,1-2H3
InChIKeyPACUQVIEEJGQNA-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 75258810) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID75258810
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC NameN-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(CC2CNNC2c2ccc(F)cc2)C1
InChIInChI=1S/C18H27FN4O/c1-3-23(13(2)24)17-8-9-22(12-17)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,15,17-18,20-21H,3,8-12H2,1-2H3
InChIKeyPACUQVIEEJGQNA-UHFFFAOYSA-N
XLogP1.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide (CID 75258810) is N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(CC2CNNC2c2ccc(F)cc2)C1.
What is the InChIKey of N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PACUQVIEEJGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-3-23(13(2)24)17-8-9-22(12-17)11-15-10-20-21-18(15)14-4-6-16(19)7-5-14/h4-7,15,17-18,20-21H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 75258810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).