3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide

C26H32FN3O3 — CID 55863273

IUPAC3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
SMILESCOc1cccc(CCC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1OC
InChIInChI=1S/C26H32FN3O3/c1-30(25(31)16-13-20-8-7-10-24(32-2)26(20)33-3)17-6-4-5-9-22-18-23(29-28-22)19-11-14-21(27)15-12-19/h7-8,10-12,14-15,18H,4-6,9,13,16-17H2,1-3H3,(H,28,29)
InChIKeyUOHLCEOCBVQJHO-UHFFFAOYSA-N
MW453.56 g/mol
LogP5.04
Rot. Bonds12

About 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide

3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide (PubChem CID 55863273) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
PubChem CID55863273
Molecular FormulaC26H32FN3O3
Molecular Weight453.56 g/mol
Exact Mass453.24
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide
SMILESCOc1cccc(CCC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1OC
InChIInChI=1S/C26H32FN3O3/c1-30(25(31)16-13-20-8-7-10-24(32-2)26(20)33-3)17-6-4-5-9-22-18-23(29-28-22)19-11-14-21(27)15-12-19/h7-8,10-12,14-15,18H,4-6,9,13,16-17H2,1-3H3,(H,28,29)
InChIKeyUOHLCEOCBVQJHO-UHFFFAOYSA-N
XLogP5.04
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]propanamide
CID 55960147
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019002
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
CID 87020189
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
CID 119757350
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
1-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(4-methylphenyl)urea
CID 51127515
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide (CID 55863273) is 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide is COc1cccc(CCC(=O)N(C)CCCCCc2cc(-c3ccc(F)cc3)n[nH]2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
The InChIKey is UOHLCEOCBVQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-30(25(31)16-13-20-8-7-10-24(32-2)26(20)33-3)17-6-4-5-9-22-18-23(29-28-22)19-11-14-21(27)15-12-19/h7-8,10-12,14-15,18H,4-6,9,13,16-17H2,1-3H3,(H,28,29).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide?
3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide has a molecular weight of 453.56 g/mol, XLogP of 5.04, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpropanamide is sourced from PubChem (CID 55863273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).