N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine

C21H24FN3O — CID 22902389

IUPACN-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESCN(CCCOc1cc(-c2ccccc2F)nn1C)Cc1ccccc1
InChIInChI=1S/C21H24FN3O/c1-24(16-17-9-4-3-5-10-17)13-8-14-26-21-15-20(23-25(21)2)18-11-6-7-12-19(18)22/h3-7,9-12,15H,8,13-14,16H2,1-2H3
InChIKeyLEOLOVTWSFNJGZ-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.13
Rot. Bonds8

About N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine

N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine (PubChem CID 22902389) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
PubChem CID22902389
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESCN(CCCOc1cc(-c2ccccc2F)nn1C)Cc1ccccc1
InChIInChI=1S/C21H24FN3O/c1-24(16-17-9-4-3-5-10-17)13-8-14-26-21-15-20(23-25(21)2)18-11-6-7-12-19(18)22/h3-7,9-12,15H,8,13-14,16H2,1-2H3
InChIKeyLEOLOVTWSFNJGZ-UHFFFAOYSA-N
XLogP4.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
N,N-dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 3070785
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293
6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 16117133
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine (CID 22902389) is N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine is CN(CCCOc1cc(-c2ccccc2F)nn1C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The InChIKey is LEOLOVTWSFNJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-24(16-17-9-4-3-5-10-17)13-8-14-26-21-15-20(23-25(21)2)18-11-6-7-12-19(18)22/h3-7,9-12,15H,8,13-14,16H2,1-2H3.
What are the key properties of N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine has a molecular weight of 353.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 22902389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).