2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide

C25H25FN4O2 — CID 56585733

IUPAC2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C25H25FN4O2/c1-17-22(18(2)30(29-17)21-11-9-20(26)10-12-21)16-24(31)27-14-5-15-32-23-8-3-6-19-7-4-13-28-25(19)23/h3-4,6-13H,5,14-16H2,1-2H3,(H,27,31)
InChIKeyCATUAARJBFPVGR-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.30
Rot. Bonds8

About 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide (PubChem CID 56585733) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide
PubChem CID56585733
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C25H25FN4O2/c1-17-22(18(2)30(29-17)21-11-9-20(26)10-12-21)16-24(31)27-14-5-15-32-23-8-3-6-19-7-4-13-28-25(19)23/h3-4,6-13H,5,14-16H2,1-2H3,(H,27,31)
InChIKeyCATUAARJBFPVGR-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55760355
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-[2-(ethylamino)-2-oxoethyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86997975
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585347
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56534852
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
CID 56585569
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209
3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249342
N-(3-aminopropyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119407249

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide (CID 56585733) is 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide?
The InChIKey is CATUAARJBFPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-22(18(2)30(29-17)21-11-9-20(26)10-12-21)16-24(31)27-14-5-15-32-23-8-3-6-19-7-4-13-28-25(19)23/h3-4,6-13H,5,14-16H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide?
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide is sourced from PubChem (CID 56585733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).