N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide

C22H26FN3OS — CID 55976186

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C22H26FN3OS/c1-26(22(27)10-9-17-11-13-28-16-17)12-4-2-3-8-20-15-21(25-24-20)18-6-5-7-19(23)14-18/h5-7,11,13-16H,2-4,8-10,12H2,1H3,(H,24,25)
InChIKeySOJBEBAGIGPOEC-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.08
Rot. Bonds10

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 55976186) has the molecular formula C22H26FN3OS and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID55976186
Molecular FormulaC22H26FN3OS
Molecular Weight399.54 g/mol
Exact Mass399.18
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C22H26FN3OS/c1-26(22(27)10-9-17-11-13-28-16-17)12-4-2-3-8-20-15-21(25-24-20)18-6-5-7-19(23)14-18/h5-7,11,13-16H,2-4,8-10,12H2,1H3,(H,24,25)
InChIKeySOJBEBAGIGPOEC-UHFFFAOYSA-N
XLogP5.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide (CID 55976186) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is SOJBEBAGIGPOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3OS/c1-26(22(27)10-9-17-11-13-28-16-17)12-4-2-3-8-20-15-21(25-24-20)18-6-5-7-19(23)14-18/h5-7,11,13-16H,2-4,8-10,12H2,1H3,(H,24,25).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 399.54 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 55976186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).