4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C23H24F3N5S — CID 70808059

IUPAC4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCc1ccc(-c2cc(-c3cc(C)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C23H24F3N5S/c1-3-4-5-6-7-16-8-9-21(32-16)15-11-17(19-10-14(2)28-29-19)27-18(12-15)20-13-22(31-30-20)23(24,25)26/h8-13H,3-7H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyAIISYAZRTFJMHL-UHFFFAOYSA-N
MW459.54 g/mol
LogP7.04
Rot. Bonds8

About 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 70808059) has the molecular formula C23H24F3N5S and a molecular weight of 459.54 g/mol. Its IUPAC name is 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID70808059
Molecular FormulaC23H24F3N5S
Molecular Weight459.54 g/mol
Exact Mass459.17
IUPAC Name4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCc1ccc(-c2cc(-c3cc(C)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C23H24F3N5S/c1-3-4-5-6-7-16-8-9-21(32-16)15-11-17(19-10-14(2)28-29-19)27-18(12-15)20-13-22(31-30-20)23(24,25)26/h8-13H,3-7H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyAIISYAZRTFJMHL-UHFFFAOYSA-N
XLogP7.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 71217085
4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 58321391
1-(5-hexylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
CID 90306583
4-(3-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 158126535
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
4-[4,5-bis(3,5-dihexylthiophen-2-yl)-3-hexylthiophen-2-yl]-2-(5-methyl-2H-pyrrol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 162104586
5-[5-(5-hexylsulfanylthiophen-2-yl)thiophen-2-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 145155854
3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 20685171
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(5-hexylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene;2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-5-[5-[5-[7-(5-methylthiophen-2-yl)-9,9-dioctylfluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 159312204
2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
CID 66714075
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896

Frequently Asked Questions

What is the IUPAC name of 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 70808059) is 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCCCCc1ccc(-c2cc(-c3cc(C)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.
What is the InChIKey of 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is AIISYAZRTFJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5S/c1-3-4-5-6-7-16-8-9-21(32-16)15-11-17(19-10-14(2)28-29-19)27-18(12-15)20-13-22(31-30-20)23(24,25)26/h8-13H,3-7H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 459.54 g/mol, XLogP of 7.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 70808059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).