4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine

C19H18FN3O — CID 138971973

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine
SMILESCn1cc(-c2ccnc(C3CCOC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O/c1-23-11-17(19(22-23)13-2-4-16(20)5-3-13)14-6-8-21-18(10-14)15-7-9-24-12-15/h2-6,8,10-11,15H,7,9,12H2,1H3
InChIKeyWNVRWXWBPBBFRO-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.79
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine (PubChem CID 138971973) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine
PubChem CID138971973
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine
SMILESCn1cc(-c2ccnc(C3CCOC3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O/c1-23-11-17(19(22-23)13-2-4-16(20)5-3-13)14-6-8-21-18(10-14)15-7-9-24-12-15/h2-6,8,10-11,15H,7,9,12H2,1H3
InChIKeyWNVRWXWBPBBFRO-UHFFFAOYSA-N
XLogP3.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine 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-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine (CID 138971973) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine is Cn1cc(-c2ccnc(C3CCOC3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine?
The InChIKey is WNVRWXWBPBBFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-23-11-17(19(22-23)13-2-4-16(20)5-3-13)14-6-8-21-18(10-14)15-7-9-24-12-15/h2-6,8,10-11,15H,7,9,12H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine has a molecular weight of 323.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-(oxolan-3-yl)pyridine is sourced from PubChem (CID 138971973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).