2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide

C24H27FN4O3 — CID 55977088

IUPAC2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C24H27FN4O3/c1-29(24(31)20-11-4-5-12-22(20)32-16-23(26)30)13-6-2-3-10-19-15-21(28-27-19)17-8-7-9-18(25)14-17/h4-5,7-9,11-12,14-15H,2-3,6,10,13,16H2,1H3,(H2,26,30)(H,27,28)
InChIKeyCLYOCKSZVGTQMG-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.56
Rot. Bonds11

About 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide

2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide (PubChem CID 55977088) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
PubChem CID55977088
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C24H27FN4O3/c1-29(24(31)20-11-4-5-12-22(20)32-16-23(26)30)13-6-2-3-10-19-15-21(28-27-19)17-8-7-9-18(25)14-17/h4-5,7-9,11-12,14-15H,2-3,6,10,13,16H2,1H3,(H2,26,30)(H,27,28)
InChIKeyCLYOCKSZVGTQMG-UHFFFAOYSA-N
XLogP3.56
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-5-methoxy-N-methylbenzamide
CID 55953731
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55976835
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(propanoylamino)benzamide
CID 55976193
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866373
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide (CID 55977088) is 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
The InChIKey is CLYOCKSZVGTQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-29(24(31)20-11-4-5-12-22(20)32-16-23(26)30)13-6-2-3-10-19-15-21(28-27-19)17-8-7-9-18(25)14-17/h4-5,7-9,11-12,14-15H,2-3,6,10,13,16H2,1H3,(H2,26,30)(H,27,28).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide?
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide has a molecular weight of 438.50 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide is sourced from PubChem (CID 55977088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).