4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine

C18H18FN3 — CID 29002028

IUPAC4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine
SMILESFCCCCn1ccc(-c2cccc(-c3ccncc3)c2)n1
InChIInChI=1S/C18H18FN3/c19-9-1-2-12-22-13-8-18(21-22)17-5-3-4-16(14-17)15-6-10-20-11-7-15/h3-8,10-11,13-14H,1-2,9,12H2
InChIKeyUYQKCTWCSGJMIH-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.36
Rot. Bonds6

About 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine

4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine (PubChem CID 29002028) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine
PubChem CID29002028
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine
SMILESFCCCCn1ccc(-c2cccc(-c3ccncc3)c2)n1
InChIInChI=1S/C18H18FN3/c19-9-1-2-12-22-13-8-18(21-22)17-5-3-4-16(14-17)15-6-10-20-11-7-15/h3-8,10-11,13-14H,1-2,9,12H2
InChIKeyUYQKCTWCSGJMIH-UHFFFAOYSA-N
XLogP4.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
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 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine (CID 29002028) is 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine is FCCCCn1ccc(-c2cccc(-c3ccncc3)c2)n1.
What is the InChIKey of 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine?
The InChIKey is UYQKCTWCSGJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c19-9-1-2-12-22-13-8-18(21-22)17-5-3-4-16(14-17)15-6-10-20-11-7-15/h3-8,10-11,13-14H,1-2,9,12H2.
What are the key properties of 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine?
4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine has a molecular weight of 295.36 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(4-fluorobutyl)pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 29002028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).