4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole

C20H21FN2 — CID 58302952

IUPAC4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole
SMILESCCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H21FN2/c1-2-3-4-20(17-9-11-19(21)12-10-17)16-7-5-15(6-8-16)18-13-22-23-14-18/h5-14,20H,2-4H2,1H3,(H,22,23)
InChIKeyLJRHNPOZQWPJNU-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.54
Rot. Bonds6

About 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole

4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole (PubChem CID 58302952) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole
PubChem CID58302952
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole
SMILESCCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C20H21FN2/c1-2-3-4-20(17-9-11-19(21)12-10-17)16-7-5-15(6-8-16)18-13-22-23-14-18/h5-14,20H,2-4H2,1H3,(H,22,23)
InChIKeyLJRHNPOZQWPJNU-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole (CID 58302952) is 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole is CCCCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole?
The InChIKey is LJRHNPOZQWPJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-2-3-4-20(17-9-11-19(21)12-10-17)16-7-5-15(6-8-16)18-13-22-23-14-18/h5-14,20H,2-4H2,1H3,(H,22,23).
What are the key properties of 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole?
4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole has a molecular weight of 308.40 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-fluorophenyl)pentyl]phenyl]-1H-pyrazole is sourced from PubChem (CID 58302952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).