2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline

C21H17BrFN3 — CID 15748263

IUPAC2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline
SMILESCC(C)c1nn(-c2ccc3ccccc3n2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C21H17BrFN3/c1-13(2)20-19(22)21(15-7-10-16(23)11-8-15)26(25-20)18-12-9-14-5-3-4-6-17(14)24-18/h3-13H,1-2H3
InChIKeyFXARBCKFDAYUJI-UHFFFAOYSA-N
MW410.29 g/mol
LogP6.11
Rot. Bonds3

About 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline

2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline (PubChem CID 15748263) has the molecular formula C21H17BrFN3 and a molecular weight of 410.29 g/mol. Its IUPAC name is 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline
PubChem CID15748263
Molecular FormulaC21H17BrFN3
Molecular Weight410.29 g/mol
Exact Mass409.06
IUPAC Name2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline
SMILESCC(C)c1nn(-c2ccc3ccccc3n2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C21H17BrFN3/c1-13(2)20-19(22)21(15-7-10-16(23)11-8-15)26(25-20)18-12-9-14-5-3-4-6-17(14)24-18/h3-13H,1-2H3
InChIKeyFXARBCKFDAYUJI-UHFFFAOYSA-N
XLogP6.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.29
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline 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 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline?
The IUPAC name of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline (CID 15748263) is 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline.
What is the SMILES notation for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline?
The canonical SMILES for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline is CC(C)c1nn(-c2ccc3ccccc3n2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline?
The InChIKey is FXARBCKFDAYUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3/c1-13(2)20-19(22)21(15-7-10-16(23)11-8-15)26(25-20)18-12-9-14-5-3-4-6-17(14)24-18/h3-13H,1-2H3.
What are the key properties of 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline?
2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline has a molecular weight of 410.29 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(4-fluorophenyl)-3-propan-2-ylpyrazol-1-yl]quinoline is sourced from PubChem (CID 15748263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).