N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

C25H25FN4O3S — CID 55978505

IUPACN-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H25FN4O3S/c1-30(25(32)22-11-12-23(34-22)27-24(31)21-10-6-14-33-21)13-4-2-3-9-19-16-20(29-28-19)17-7-5-8-18(26)15-17/h5-8,10-12,14-16H,2-4,9,13H2,1H3,(H,27,31)(H,28,29)
InChIKeyCHUNZFZJGSLAIJ-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.61
Rot. Bonds10

About N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55978505) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55978505
Molecular FormulaC25H25FN4O3S
Molecular Weight480.57 g/mol
Exact Mass480.16
IUPAC NameN-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C25H25FN4O3S/c1-30(25(32)22-11-12-23(34-22)27-24(31)21-10-6-14-33-21)13-4-2-3-9-19-16-20(29-28-19)17-7-5-8-18(26)15-17/h5-8,10-12,14-16H,2-4,9,13H2,1H3,(H,27,31)(H,28,29)
InChIKeyCHUNZFZJGSLAIJ-UHFFFAOYSA-N
XLogP5.61
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55978505) is N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is CHUNZFZJGSLAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-30(25(32)22-11-12-23(34-22)27-24(31)21-10-6-14-33-21)13-4-2-3-9-19-16-20(29-28-19)17-7-5-8-18(26)15-17/h5-8,10-12,14-16H,2-4,9,13H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55978505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).