N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine

C15H24FN3O — CID 75257296

IUPACN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
SMILESCCCOCCNCC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-2-8-20-9-7-17-10-13-11-18-19-15(13)12-3-5-14(16)6-4-12/h3-6,13,15,17-19H,2,7-11H2,1H3
InChIKeyOWFUGRGGGYXPLT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.61
Rot. Bonds8

About N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine

N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine (PubChem CID 75257296) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
PubChem CID75257296
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC NameN-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
SMILESCCCOCCNCC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C15H24FN3O/c1-2-8-20-9-7-17-10-13-11-18-19-15(13)12-3-5-14(16)6-4-12/h3-6,13,15,17-19H,2,7-11H2,1H3
InChIKeyOWFUGRGGGYXPLT-UHFFFAOYSA-N
XLogP1.61
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-(4-methoxyphenoxy)ethanamine
CID 52975548
2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
2-methoxy-N-[(3-phenylpyrazolidin-4-yl)methyl]ethanamine
CID 75266458
N-[(3-fluorophenyl)methyl]-1-[3-(4-fluorophenyl)pyrazolidin-4-yl]methanamine;hydrochloride
CID 52986379
3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
1-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 75257347
N-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 52986592
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 52990447
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 74414644
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine;hydrochloride
CID 52990446
N-[(2-bromo-5-fluorophenyl)methyl]-2-propoxyethanamine
CID 106451724

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine (CID 75257296) is N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine is CCCOCCNCC1CNNC1c1ccc(F)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine?
The InChIKey is OWFUGRGGGYXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-2-8-20-9-7-17-10-13-11-18-19-15(13)12-3-5-14(16)6-4-12/h3-6,13,15,17-19H,2,7-11H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine?
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine has a molecular weight of 281.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine is sourced from PubChem (CID 75257296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).