4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline

C18H12FN3 — CID 70681379

IUPAC4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline
SMILESFc1cccc(-n2cc(-c3ccnc4ccccc34)cn2)c1
InChIInChI=1S/C18H12FN3/c19-14-4-3-5-15(10-14)22-12-13(11-21-22)16-8-9-20-18-7-2-1-6-17(16)18/h1-12H
InChIKeyKXVWIKGCRKCOCI-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.23
Rot. Bonds2

About 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline

4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline (PubChem CID 70681379) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline
PubChem CID70681379
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC Name4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline
SMILESFc1cccc(-n2cc(-c3ccnc4ccccc34)cn2)c1
InChIInChI=1S/C18H12FN3/c19-14-4-3-5-15(10-14)22-12-13(11-21-22)16-8-9-20-18-7-2-1-6-17(16)18/h1-12H
InChIKeyKXVWIKGCRKCOCI-UHFFFAOYSA-N
XLogP4.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(3-fluorophenyl)pyrazol-4-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 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline?
The IUPAC name of 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline (CID 70681379) is 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline is Fc1cccc(-n2cc(-c3ccnc4ccccc34)cn2)c1.
What is the InChIKey of 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline?
The InChIKey is KXVWIKGCRKCOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3/c19-14-4-3-5-15(10-14)22-12-13(11-21-22)16-8-9-20-18-7-2-1-6-17(16)18/h1-12H.
What are the key properties of 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline?
4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline has a molecular weight of 289.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)pyrazol-4-yl]quinoline is sourced from PubChem (CID 70681379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).