N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide

C25H27FN4O — CID 55975546

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H27FN4O/c1-30(25(31)15-19-17-27-23-12-5-4-11-22(19)23)13-6-2-3-10-21-16-24(29-28-21)18-8-7-9-20(26)14-18/h4-5,7-9,11-12,14,16-17,27H,2-3,6,10,13,15H2,1H3,(H,28,29)
InChIKeyYSOJQYGLODLVIC-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.11
Rot. Bonds9

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide (PubChem CID 55975546) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
PubChem CID55975546
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H27FN4O/c1-30(25(31)15-19-17-27-23-12-5-4-11-22(19)23)13-6-2-3-10-21-16-24(29-28-21)18-8-7-9-20(26)14-18/h4-5,7-9,11-12,14,16-17,27H,2-3,6,10,13,15H2,1H3,(H,28,29)
InChIKeyYSOJQYGLODLVIC-UHFFFAOYSA-N
XLogP5.11
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[2-(1H-indol-3-yl)ethyl]-1-methylurea
CID 55994231
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-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 55975799
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55976698
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55976570
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
CID 55976702
2-(2-amino-2-oxoethoxy)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55977088
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55977344
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55977873
(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 N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide (CID 55975546) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide?
The InChIKey is YSOJQYGLODLVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c1-30(25(31)15-19-17-27-23-12-5-4-11-22(19)23)13-6-2-3-10-21-16-24(29-28-21)18-8-7-9-20(26)14-18/h4-5,7-9,11-12,14,16-17,27H,2-3,6,10,13,15H2,1H3,(H,28,29).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide has a molecular weight of 418.52 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 55975546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).