N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide

C17H26FN3OS — CID 52986764

IUPACN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C17H26FN3OS/c1-12(23-3)17(22)21(2)9-5-8-15-11-16(20-19-15)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19-20H,5,8-9,11H2,1-3H3
InChIKeyQOGQJAARRWJYMI-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.72
Rot. Bonds7

About N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide

N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide (PubChem CID 52986764) has the molecular formula C17H26FN3OS and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide
PubChem CID52986764
Molecular FormulaC17H26FN3OS
Molecular Weight339.48 g/mol
Exact Mass339.18
IUPAC NameN-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C17H26FN3OS/c1-12(23-3)17(22)21(2)9-5-8-15-11-16(20-19-15)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19-20H,5,8-9,11H2,1-3H3
InChIKeyQOGQJAARRWJYMI-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-propan-2-ylpropanamide
CID 24711906
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]hexadecanamide
CID 145958692
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]tetradecanamide
CID 145959605
N-cyclopropyl-3-[2-(2,4-difluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 24711904
2-(4-Fluorophenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715263
5-Ethyl-2-(4-fluorophenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one
CID 24715636
5-{2-[(4-Fluorobenzyl)amino]ethyl}-1-[3-(methylthio)propyl]-2-pyrrolidinone
CID 45169026
5-[2-[(3-Fluorophenyl)methylamino]ethyl]-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 45191830
1-[2-(Methylthio)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone
CID 45245903
5-{2-[(3-Fluorobenzyl)amino]ethyl}-1-[3-(methylthio)propyl]-2-pyrrolidinone
CID 45248871
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methylsulfanylpropanamide
CID 47044211
3-[(2S)-2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 7472084

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide?
The IUPAC name of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide (CID 52986764) is N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide.
What is the SMILES notation for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide?
The canonical SMILES for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide is CSC(C)C(=O)N(C)CCCC1CC(c2cccc(F)c2)NN1.
What is the InChIKey of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide?
The InChIKey is QOGQJAARRWJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3OS/c1-12(23-3)17(22)21(2)9-5-8-15-11-16(20-19-15)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19-20H,5,8-9,11H2,1-3H3.
What are the key properties of N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide?
N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N-methyl-2-methylsulfanylpropanamide is sourced from PubChem (CID 52986764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).